Water

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Δfgas-57.7978 ± 0.0096kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-57.799kcal/molReviewChase, 1998Data last reviewed in March, 1979
Quantity Value Units Method Reference Comment
gas,1 bar45.1326 ± 0.0024cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar45.134cal/mol*KReviewChase, 1998Data last reviewed in March, 1979

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 500. to 1700.1700. to 6000.
A 7.19216110.02970
B 1.6330112.060720
C 1.623670-0.358456
D -0.6057550.023451
E 0.019632-2.666740
F -59.96200-65.05251
G 53.3930952.52890
H -57.79790-57.79790
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1979 Data last reviewed in March, 1979

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Δfliquid-68.3150 ± 0.0096kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfliquid-68.315kcal/molReviewChase, 1998Data last reviewed in March, 1979
Quantity Value Units Method Reference Comment
liquid16.72 ± 0.007cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
liquid,1 bar16.72cal/mol*KReviewChase, 1998Data last reviewed in March, 1979

Liquid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 500.
A -48.66300
B 364.0750
C -763.9610
D 591.4089
E 0.921445
F -61.31640
G -116.8060
H -68.31511
ReferenceChase, 1998
Comment Data last reviewed in March, 1979

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil373.17 ± 0.04KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ptriple0.0060atmN/ASato, Watanabe, et al., 1991Uncertainty assigned by TRC = 1.×10-7 atm; TRC
Quantity Value Units Method Reference Comment
Tc647. ± 2.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc217.75atmN/ASato, Watanabe, et al., 1991Uncertainty assigned by TRC = 0.05 atm; TRC
Pc217.72atmN/ABrunner, 1990Uncertainty assigned by TRC = 0.12 atm; TRC
Pc217.58atmN/AMorita, Sato, et al., 1989Uncertainty assigned by TRC = 0.25 atm; based on analysis of their obs. PVT and vapor pressure data some other data from literature; TRC
Pc217.75atmN/AAleksandrov, 1986Uncertainty assigned by TRC = 0.30 atm; TRC
Pc217.75atmN/ASifner, 1985Uncertainty assigned by TRC = 0.0001 atm; TRC
Quantity Value Units Method Reference Comment
ρc17.9mol/lN/ASato, Watanabe, et al., 1991Uncertainty assigned by TRC = 0.2 mol/l; TRC
ρc17.91mol/lN/AMorita, Sato, et al., 1989Uncertainty assigned by TRC = 0.083 mol/l; based on analysis of obs. PVT and vapor pressure data; TRC
ρc17.9mol/lN/AAleksandrov, 1986Uncertainty assigned by TRC = 0.2 mol/l; TRC
ρc17.9mol/lN/ASifner, 1985Uncertainty assigned by TRC = 0.2 mol/l; TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
379. to 573.3.55388643.748-198.043Liu and Lindsay, 1970Coefficents calculated by NIST from author's data.
273. to 303.5.396501838.675-31.737Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
304. to 333.5.198181733.926-39.485Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
334. to 363.5.07111659.793-45.854Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
344. to 373.5.077831663.125-45.622Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
293. to 343.6.203922354.7317.559Gubkov, Fermor, et al., 1964Coefficents calculated by NIST from author's data.
255.9 to 373.4.64861435.264-64.848Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
MS - José A. Martinho Simões

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

Chlorine anion + Water = (Chlorine anion • Water)

By formula: Cl- + H2O = (Cl- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15. ± 5.kcal/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δr19. ± 3.cal/mol*KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr9. ± 4.kcal/molAVGN/AAverage of 9 values; Individual data points

(Hydronium cation • 2Water) + Water = (Hydronium cation • 3Water)

By formula: (H3O+ • 2H2O) + H2O = (H3O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.3 ± 0.9kcal/molAVGN/AAverage of 9 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28. ± 2.cal/mol*KAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr9.4kcal/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.1300.HPMSArifov, Pozharov, et al., 1971gas phase; M
9.2296.SAMSPuckett and Teague, 1971gas phase; M
8.4300.PHPMSGood, Durden, et al., 1970gas phase; M
8.3307.PHPMSGood, Durden, et al., 1970, 2gas phase; M

CH2OH+ + Water = (CH2OH+ • Water)

By formula: CH3O+ + H2O = (CH3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr28.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M
Δr27.9kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977; M
Δr28.5kcal/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr28.6kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr28.7kcal/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr26.9cal/mol*KN/ABerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr26.9cal/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr26.8cal/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr20.4kcal/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr20.5kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

Hydronium cation + Water = (Hydronium cation • Water)

By formula: H3O+ + H2O = (H3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr32. ± 2.kcal/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28. ± 7.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1300.HPMSArifov, Pozharov, et al., 1971gas phase; M

(Hydronium cation • Water) + Water = (Hydronium cation • 2Water)

By formula: (H3O+ • H2O) + H2O = (H3O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20. ± 1.kcal/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22. ± 4.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.6300.HPMSArifov, Pozharov, et al., 1971gas phase; M

(Hydronium cation • 3Water) + Water = (Hydronium cation • 4Water)

By formula: (H3O+ • 3H2O) + H2O = (H3O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13. ± 4.kcal/molAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 5.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr5.5kcal/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.8293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
5.4296.SAMSPuckett and Teague, 1971gas phase; M
5.0300.PHPMSGood, Durden, et al., 1970gas phase; M
5.0307.PHPMSGood, Durden, et al., 1970, 2gas phase; M
7.0300.HPMSArifov, Pozharov, et al., 1971gas phase; M

NO3 anion + Water = (NO3 anion • Water)

By formula: NO3- + H2O = (NO3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.60 ± 0.20kcal/molN/ALee, Keesee, et al., 1980gas phase; B,M
Δr14.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.40kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr14.8kcal/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr19.2kcal/molFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr25.cal/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr21.3cal/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Δr19.1cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr7.20 ± 0.30kcal/molTDAsLee, Keesee, et al., 1980gas phase; B
Δr7.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr7.30 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Δr6.70kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.8250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
6.8296.FAFehsenfeld and Ferguson, 1974gas phase; M
7.0300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

Nitrogen oxide anion + Water = (Nitrogen oxide anion • Water)

By formula: NO2- + H2O = (NO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16. ± 4.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSSieck, 1985gas phase; M
Δr20.0cal/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M
Δr23.8cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr21.cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr8.50 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Δr8.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr8.1 ± 5.8kcal/molEndoPaulson and Dale, 1982gas phase; B
Δr8.10 ± 0.20kcal/molTDAsLee, Keesee, et al., 1980gas phase; B
Δr8.00kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0296.FAFehsenfeld and Ferguson, 1974gas phase; M
8.4300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

(Sodium ion (1+) • 3Water) + Water = (Sodium ion (1+) • 4Water)

By formula: (Na+ • 3H2O) + H2O = (Na+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr13.1 ± 0.9kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 3.cal/mol*KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr6.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
13.1 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
6.4300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Chlorine anion • 2Water) + Water = (Chlorine anion • 3Water)

By formula: (Cl- • 2H2O) + H2O = (Cl- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12. ± 2.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr22.4cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr23.2cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr5.0 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

Iodide + Water = (Iodide • Water)

By formula: I- + H2O = (I- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4 ± 0.7kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr15.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr19.3cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr16.3cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr5.5 ± 0.3kcal/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Iodide • Water) + Water = (Iodide • 2Water)

By formula: (I- • H2O) + H2O = (I- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.90 ± 0.20kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr9.50kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr9.50 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.8 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr9.8 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.3cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr19.0cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.0 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.1300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Chlorine anion • Water) + Water = (Chlorine anion • 2Water)

By formula: (Cl- • H2O) + H2O = (Cl- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.5cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr20.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr6.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr6.50kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr6.5 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr6.50kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr6.7kcal/molFAFehsenfeld and Ferguson, 1974gas phase; M

(CH2OH+ • Water) + Water = (CH2OH+ • 2Water)

By formula: (CH3O+ • H2O) + H2O = (CH3O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr19.9kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr19.8kcal/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.2cal/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr26.3cal/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr12.1kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

(CH2OH+ • 2Water) + Water = (CH2OH+ • 3Water)

By formula: (CH3O+ • 2H2O) + H2O = (CH3O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr16.9kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr17.0kcal/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.0cal/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr26.0cal/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr9.1kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

(Hydronium cation • 4Water) + Water = (Hydronium cation • 5Water)

By formula: (H3O+ • 4H2O) + H2O = (H3O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12. ± 2.kcal/molAVGN/AAverage of 5 out of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 4.cal/mol*KAVGN/AAverage of 4 out of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.5293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(Sodium ion (1+) • Water) + Water = (Sodium ion (1+) • 2Water)

By formula: (Na+ • H2O) + H2O = (Na+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr19. ± 2.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
19.6 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Sodium ion (1+) • 2Water) + Water = (Sodium ion (1+) • 3Water)

By formula: (Na+ • 2H2O) + H2O = (Na+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr14.9kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Δr15.8kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr16.7 ± 1.4kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr16.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M
Δr21.9cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr22.0cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.5kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.8 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Chlorine anion • 3Water) + Water = (Chlorine anion • 4Water)

By formula: (Cl- • 3H2O) + H2O = (Cl- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr9.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr10.6 ± 0.3kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr10.90 ± 0.70kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr11.1 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr24.8cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr25.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr3.50kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr3.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.0 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Nitrogen oxide anion • Water) + Water = (Nitrogen oxide anion • 2Water)

By formula: (NO2- • H2O) + H2O = (NO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.9 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr12.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr13.6kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr26.4cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr23.7cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr6.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.8 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr5.80kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr6.1 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.9296.FAFehsenfeld and Ferguson, 1974gas phase; M
5.8300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

(NH4+ • Water) + Water = (NH4+ • 2Water)

By formula: (H4N+ • H2O) + H2O = (H4N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
Δr13.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M
Δr14.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
Δr22.0cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M
Δr21.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6414.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M

C16H34OP2Ru (solution) + Diphenylamine (solution) = C28H43NP2Ru (solution) + Water (solution)

By formula: C16H34OP2Ru (solution) + C12H11N (solution) = C28H43NP2Ru (solution) + H2O (solution)

Quantity Value Units Method Reference Comment
Δr1.2 ± 0.1kcal/molEqSBryndza, Fong, et al., 1987solvent: Tetrahydrofuran; In a series of reactions involving similar ruthenium complexes, the reaction enthalpy was identified with the reaction Gibbs energy, since the entropy values are expected to be small Bryndza, Fong, et al., 1987. For this reaction, however a van't Hoff plot could be used. Temperature range: 293-328 K; MS
Δr4.71kcal/molEqSBryndza, Fong, et al., 1987solvent: Benzene; The reaction enthalpy was identified with the reaction Gibbs energy, since the the entropy is expected to be small Bryndza, Fong, et al., 1987; MS

MeCO2 anion + Water = (MeCO2 anion • Water)

By formula: C2H3O2- + H2O = (C2H3O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B
Δr15.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.0 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Δr16.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr15.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr22.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 1.4kcal/molN/AWincel, 2008gas phase; B
Δr9.52kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr9.3 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Δr9.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(Iodide • 2Water) + Water = (Iodide • 3Water)

By formula: (I- • 2H2O) + H2O = (I- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.30 ± 0.30kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr8.5 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr9.20 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.4 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr9.4 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr21.0cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr21.3cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.00kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr3.10 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr3.3 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

C2H5NaO (cr) + 0.5(Sulfuric Acid • 1100Water) (solution) = Ethanol (solution) + 0.5sodium sulphate (solution)

By formula: C2H5NaO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5Na2O4S (solution)

Quantity Value Units Method Reference Comment
Δr-28.30 ± 0.91kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -117.3 ± 1.4 kcal/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -98.0 ± 1.0 kcal/mol and -98.90 kcal/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS

Potassium ion (1+) + Water = (Potassium ion (1+) • Water)

By formula: K+ + H2O = (K+ • H2O)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr19.4 ± 2.5kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Δr17.9kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr19.9cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr21.3cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Δr21.6cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
0.4840.MSChupka, 1959gas phase; Knudsen cell, 840+-50K; M

(Bromine anion • Water) + Water = (Bromine anion • 2Water)

By formula: (Br- • H2O) + H2O = (Br- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.60 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr12.3 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr12.3 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr22.9cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr6.2 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr5.4 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr5.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr5.7 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

CN- + Water = (CN- • Water)

By formula: CN- + H2O = (CN- • H2O)

Quantity Value Units Method Reference Comment
Δr12.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Δr14.6 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,B,M,M
Δr13.80kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr14.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr18.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Δr19.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr19.6cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Δr19.8cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.20kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B
Δr8.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr8.7 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Δr7.90kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

(Bromine anion • 2Water) + Water = (Bromine anion • 3Water)

By formula: (Br- • 2H2O) + H2O = (Br- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.40 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr11.5 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr11.5 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr24.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.7 ± 1.1kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr4.1 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.4 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Nitrogen oxide anion • 2Water) + Water = (Nitrogen oxide anion • 3Water)

By formula: (NO2- • 2H2O) + H2O = (NO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.5 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr10.4 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr10.4 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr11.7kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr25.8cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr21.2cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr4.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr4.0 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.5 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Bromine anion + Water = (Bromine anion • Water)

By formula: Br- + H2O = (Br- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr11.70 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.60kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Δr12.7kcal/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr14.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr18.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Δr19.8cal/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr7.0 ± 2.8kcal/molTDAsBurdett and Hayhurst, 1982gas phase; B
Δr7.0 ± 2.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

CH2N+ + Water = (CH2N+ • Water)

By formula: CH2N+ + H2O = (CH2N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr27.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr29.6kcal/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr28.8cal/mol*KN/ABerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
21.0300.ICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

Hydroxyl anion + Water = (Hydroxyl anion • Water)

By formula: HO- + H2O = (HO- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr27.0 ± 0.9kcal/molAVGN/AAverage of 3 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28.1cal/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
Δr21.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr20.8cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr19.1cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

HO- + Water = (HO- • Water)

By formula: HO- + H2O = (HO- • H2O)

Quantity Value Units Method Reference Comment
Δr28. ± 7.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr19.2 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B
Δr20.1 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Δr20.0 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Δr18.60kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

(Fluorine anion • Water) + Water = (Fluorine anion • 2Water)

By formula: (F- • H2O) + H2O = (F- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.20 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M
Δr16.6 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr16.6 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr18.7cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr12.5 ± 1.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Δr11.0 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr11.00kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

(MeCO2 anion • 2Water) + Water = (MeCO2 anion • 3Water)

By formula: (C2H3O2- • 2H2O) + H2O = (C2H3O2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr11.8kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr5.84kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.9kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M

(Bromine anion • 3Water) + Water = (Bromine anion • 4Water)

By formula: (Br- • 3H2O) + H2O = (Br- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.00 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.2 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr10.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr26.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10 ± 0.70kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr2.90kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr3.3 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

O3P- + Water = (O3P- • Water)

By formula: O3P- + H2O = (O3P- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.90 ± 0.30kcal/molTDAsKeesee and Castleman Jr., 1989gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M
Δr12.6kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr22.2cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
Δr20.8cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr6.3 ± 1.2kcal/molTDAsKeesee and Castleman Jr., 1989gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B
Δr6.4kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M

Sodium ion (1+) + Water = (Sodium ion (1+) • Water)

By formula: Na+ + H2O = (Na+ • H2O)

Quantity Value Units Method Reference Comment
Δr24.0kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr21.0 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr19.6 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr22.7 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr26.5kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr22.cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
22.6 (+1.8,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Potassium ion (1+) • 2Water) + Water = (Potassium ion (1+) • 3Water)

By formula: (K+ • 2H2O) + H2O = (K+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr13.2kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr23.0cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr6.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(MeCO2 anion • Water) + Water = (MeCO2 anion • 2Water)

By formula: (C2H3O2- • H2O) + H2O = (C2H3O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Δr12.9kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr20.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(Chlorine anion • 6Water) + Water = (Chlorine anion • 7Water)

By formula: (Cl- • 6H2O) + H2O = (Cl- • 7H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B
Δr6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr8.1kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Rubidium ion (1+) + Water = (Rubidium ion (1+) • Water)

By formula: Rb+ + H2O = (Rb+ • H2O)

Quantity Value Units Method Reference Comment
Δr15.9kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr16.0kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr20.1cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(NO3 anion • Water) + Water = (NO3 anion • 2Water)

By formula: (NO3- • H2O) + H2O = (NO3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr14.3kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr30.3cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.20 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2301.HPMSBanic and Iribarne, 1985gas phase; electric fields; M
5.0296.FAFehsenfeld and Ferguson, 1974gas phase; M

C4H6N+ + Water = (C4H6N+ • Water)

By formula: C4H6N+ + H2O = (C4H6N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr13.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr22.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9344.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

C2H2F3O2+ + Water = (C2H2F3O2+ • Water)

By formula: C2H2F3O2+ + H2O = (C2H2F3O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr28.3kcal/molICRLarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KN/ALarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
21.4309.ICRLarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H5O+ + Water = (C4H5O+ • Water)

By formula: C4H5O+ + H2O = (C4H5O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr10.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr19.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.2382.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

(Fluorine anion • 2Water) + Water = (Fluorine anion • 3Water)

By formula: (F- • 2H2O) + H2O = (F- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.30 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr13.7 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr13.7 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr8.4 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr7.6 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr7.60kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

(Hydroxyl anion • Water) + Water = (Hydroxyl anion • 2Water)

By formula: (HO- • H2O) + H2O = (HO- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr18.kcal/molCIDHierl and Paulson, 1984gas phase; M
Δr17.9kcal/molHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr16.4kcal/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Δr23.kcal/molCIDDePaz, Giardini, et al., 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr21.2cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr19.3cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

C2H4F3O+ + Water = (C2H4F3O+ • Water)

By formula: C2H4F3O+ + H2O = (C2H4F3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr30.5kcal/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
23.4309.ICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to H2O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.621 ± 0.002eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)165.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity157.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
12.65 ± 0.05EISnow and Thomas, 1990LL
12.6188 ± 0.0009PIPage, Larkin, et al., 1988LL
12.6223 ± 0.0003PEReutt, Wang, et al., 1986LBLHLM
12.6 ± 0.1EIGrade, Wienecke, et al., 1983LBLHLM
12.63 ± 0.03EILefaivre and Marmet, 1978LLK
12.612SGurtler, Saile, et al., 1977LLK
12.627PEBotter and Carlier, 1977LLK
12.616PEKronebusch and Berkowitz, 1976LLK
12.624PEDixon, Duxbury, et al., 1976LLK
12.615 ± 0.001PEKarlsson, Mattson, et al., 1975LLK
12.6PEDebies and Rabalais, 1975LLK
12.6PIRabalais, Debies, et al., 1974LLK
12.615 ± 0.001PEBergmark, Karlsson, et al., 1974LLK
12.619PERobin and Kuebler, 1973LLK
12.7EIMorrison and Traeger, 1973LLK
12.619 ± 0.006SKatayama, Huffman, et al., 1973LLK
12.62PEPotts and Price, 1972LLK
12.624PEAsbrink and Rabalais, 1971LLK
12.65CICermak, 1968RDSH
12.62 ± 0.01PEBrundle and Turner, 1968RDSH
12.59 ± 0.01PIDibeler, Walker, et al., 1966RDSH
12.614 ± 0.005PIBrehm, 1966RDSH
12.597 ± 0.010PINicholson, 1965RDSH
12.60 ± 0.01EIFrost and McDowell, 1958RDSH
12.62 ± 0.02SPrice, 1936RDSH
12.62PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.8PECampbell, Liesegang, et al., 1979Vertical value; LLK
12.61PEBenoit and Harrison, 1977Vertical value; LLK
12.61PEWieczorek, Koenig, et al., 1975Vertical value; LLK
12.60 ± 0.02PEBanna and Shirley, 1975Vertical value; LLK
12.62PESchweig and Thiel, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
H+16.95 ± 0.05OHEILefaivre and Marmet, 1978LLK
H+18.7 ± 0.05OH(X2P)EIAppell and Durup, 1973LLK
H+16.0 ± 0.3OH-EICottin, 1959RDSH
H+19.6 ± 0.25OHEICottin, 1959RDSH
HO+18.08 ± 0.05HEILefaivre and Marmet, 1978LLK
HO+18.115 ± 0.008HPIMcCulloh, 1976LLK
HO+18.2HEIMorrison and Traeger, 1973LLK
HO+18.05HPIDibeler, Walker, et al., 1966RDSH
HO+18.2 ± 0.1HEIFoner and Hudson, 1956RDSH
H2+20.7 ± 0.4OEIEhrhardt and Kresling, 1967RDSH
O+19.0H2EIMorrison and Traeger, 1973LLK
O+26.82HEIMorrison and Traeger, 1973LLK
O+19.0 ± 0.2H2EIEhrhardt and Kresling, 1967RDSH
O+26.5 ± 0.32H?EIEhrhardt and Kresling, 1967RDSH
O+29.15 ± 0.252H?EICottin, 1959RDSH

De-protonation reactions

HO- + Hydrogen cation = Water

By formula: HO- + H+ = H2O

Quantity Value Units Method Reference Comment
Δr390.330 ± 0.010kcal/molD-EASmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
Δr387.70kcal/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7; B
Quantity Value Units Method Reference Comment
Δr383.740 ± 0.060kcal/molH-TSSmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
Δr381.10kcal/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Silver ion (1+) + Water = (Silver ion (1+) • Water)

By formula: Ag+ + H2O = (Ag+ • H2O)

Quantity Value Units Method Reference Comment
Δr33.3kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr28.4cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

(Silver ion (1+) • Water) + Water = (Silver ion (1+) • 2Water)

By formula: (Ag+ • H2O) + H2O = (Ag+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr25.4kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

(Silver ion (1+) • 2Water) + Water = (Silver ion (1+) • 3Water)

By formula: (Ag+ • 2H2O) + H2O = (Ag+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr15.0kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

(Silver ion (1+) • 3Water) + Water = (Silver ion (1+) • 4Water)

By formula: (Ag+ • 3H2O) + H2O = (Ag+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr14.9kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr29.5cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

(Silver ion (1+) • 4Water) + Water = (Silver ion (1+) • 5Water)

By formula: (Ag+ • 4H2O) + H2O = (Ag+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr13.7kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr30.3cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

(Silver ion (1+) • 5Water) + Water = (Silver ion (1+) • 6Water)

By formula: (Ag+ • 5H2O) + H2O = (Ag+ • 6H2O)

Quantity Value Units Method Reference Comment
Δr13.3kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr32.2cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

Aluminum ion (1+) + Water = (Aluminum ion (1+) • Water)

By formula: Al+ + H2O = (Al+ • H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
24.9 (+3.6,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Al+ (3s2); M

(Aluminum ion (1+) • Water) + Water = (Aluminum ion (1+) • 2Water)

By formula: (Al+ • H2O) + H2O = (Al+ • 2H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.1 (+1.2,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Al+ (3s2); M

(Aluminum ion (1+) • 2Water) + Water = (Aluminum ion (1+) • 3Water)

By formula: (Al+ • 2H2O) + H2O = (Al+ • 3H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
15.2 (+1.8,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Al+ (3s2); M

(Aluminum ion (1+) • 3Water) + Water = (Aluminum ion (1+) • 4Water)

By formula: (Al+ • 3H2O) + H2O = (Al+ • 4H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
12.5 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Al+ (3s2); M

Bismuth ion (1+) + Water = (Bismuth ion (1+) • Water)

By formula: Bi+ + H2O = (Bi+ • H2O)

Quantity Value Units Method Reference Comment
Δr22.8kcal/molHPMSTang and Castleman, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr27.1cal/mol*KHPMSTang and Castleman, 1974gas phase; M

(Bismuth ion (1+) • Water) + Water = (Bismuth ion (1+) • 2Water)

By formula: (Bi+ • H2O) + H2O = (Bi+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr17.7kcal/molHPMSTang and Castleman, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KHPMSTang and Castleman, 1974gas phase; M

(Bismuth ion (1+) • 2Water) + Water = (Bismuth ion (1+) • 3Water)

By formula: (Bi+ • 2H2O) + H2O = (Bi+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molHPMSTang and Castleman, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KHPMSTang and Castleman, 1974gas phase; M

(Bismuth ion (1+) • 3Water) + Water = (Bismuth ion (1+) • 4Water)

By formula: (Bi+ • 3H2O) + H2O = (Bi+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr12.0kcal/molHPMSTang and Castleman, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KHPMSTang and Castleman, 1974gas phase; M

(Bismuth ion (1+) • 4Water) + Water = (Bismuth ion (1+) • 5Water)

By formula: (Bi+ • 4H2O) + H2O = (Bi+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molHPMSTang and Castleman, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KHPMSTang and Castleman, 1974gas phase; M

(Bismuth ion (1+) • 5Water) + Water = (Bismuth ion (1+) • 6Water)

By formula: (Bi+ • 5H2O) + H2O = (Bi+ • 6H2O)

Quantity Value Units Method Reference Comment
Δr9.7kcal/molHPMSTang and Castleman, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KHPMSTang and Castleman, 1974gas phase; M

Bromine anion + Water = (Bromine anion • Water)

By formula: Br- + H2O = (Br- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr11.70 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.60kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Δr12.7kcal/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr14.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr18.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Δr19.8cal/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr7.0 ± 2.8kcal/molTDAsBurdett and Hayhurst, 1982gas phase; B
Δr7.0 ± 2.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

(Bromine anion • Water) + Water = (Bromine anion • 2Water)

By formula: (Br- • H2O) + H2O = (Br- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.60 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr12.3 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr12.3 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr22.9cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr6.2 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr5.4 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr5.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr5.7 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Bromine anion • 2Water) + Water = (Bromine anion • 3Water)

By formula: (Br- • 2H2O) + H2O = (Br- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.40 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr11.5 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr11.5 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr24.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.7 ± 1.1kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr4.1 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.4 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Bromine anion • 3Water) + Water = (Bromine anion • 4Water)

By formula: (Br- • 3H2O) + H2O = (Br- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.00 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.2 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr10.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr26.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10 ± 0.70kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr2.90kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr3.3 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Bromine anion • 4Water) + Water = (Bromine anion • 5Water)

By formula: (Br- • 4H2O) + H2O = (Br- • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.80 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.2 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity Value Units Method Reference Comment
Δr28.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr2.3 ± 1.2kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Bromine anion • 5Water) + Water = (Bromine anion • 6Water)

By formula: (Br- • 5H2O) + H2O = (Br- • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.30 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.0 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity Value Units Method Reference Comment
Δr28.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr1.8 ± 2.1kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Bromine anion • 6Water) + Water = (Bromine anion • 7Water)

By formula: (Br- • 6H2O) + H2O = (Br- • 7H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.00kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B,M
Δr2.5 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr29.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B

(Bromine anion • 7Water) + Water = (Bromine anion • 8Water)

By formula: (Br- • 7H2O) + H2O = (Br- • 8H2O)

Quantity Value Units Method Reference Comment
Δr1.6 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Bromine anion • 8Water) + Water = (Bromine anion • 9Water)

By formula: (Br- • 8H2O) + H2O = (Br- • 9H2O)

Quantity Value Units Method Reference Comment
Δr0.7 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Bromine anion • 9Water) + Water = (Bromine anion • 10Water)

By formula: (Br- • 9H2O) + H2O = (Br- • 10H2O)

Quantity Value Units Method Reference Comment
Δr1.6 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Bromine anion • 10Water) + Water = (Bromine anion • 11Water)

By formula: (Br- • 10H2O) + H2O = (Br- • 11H2O)

Quantity Value Units Method Reference Comment
Δr1.6 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Bromine anion • 11Water) + Water = (Bromine anion • 12Water)

By formula: (Br- • 11H2O) + H2O = (Br- • 12H2O)

Quantity Value Units Method Reference Comment
Δr2.5 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Bromine anion • 12Water) + Water = (Bromine anion • 13Water)

By formula: (Br- • 12H2O) + H2O = (Br- • 13H2O)

Quantity Value Units Method Reference Comment
Δr1.8 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Bromine anion • 13Water) + Water = (Bromine anion • 14Water)

By formula: (Br- • 13H2O) + H2O = (Br- • 14H2O)

Quantity Value Units Method Reference Comment
Δr3.2 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Bromine anion • 14Water) + Water = (Bromine anion • 15Water)

By formula: (Br- • 14H2O) + H2O = (Br- • 15H2O)

Quantity Value Units Method Reference Comment
Δr-0.5 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Bromine anion • 15Water) + Water = (Bromine anion • 16Water)

By formula: (Br- • 15H2O) + H2O = (Br- • 16H2O)

Quantity Value Units Method Reference Comment
Δr2.3 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

Trifluoromethyl cation + Water = (Trifluoromethyl cation • Water)

By formula: CF3+ + H2O = (CF3+ • H2O)

Quantity Value Units Method Reference Comment
Δr4.6kcal/molHPMSBennet and Field, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr18.8cal/mol*KHPMSBennet and Field, 1972gas phase; M

CF3O- + Water = CH2F3O2-

By formula: CF3O- + H2O = CH2F3O2-

Quantity Value Units Method Reference Comment
Δr6.8 ± 1.0kcal/molN/AAmelynck, Van Bavel, et al., 2000gas phase; B

CF3O3S- + Water = (CF3O3S- • Water)

By formula: CF3O3S- + H2O = (CF3O3S- • H2O)

Quantity Value Units Method Reference Comment
Δr11.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

(CF3O3S- • Water) + Water = (CF3O3S- • 2Water)

By formula: (CF3O3S- • H2O) + H2O = (CF3O3S- • 2H2O)

Quantity Value Units Method Reference Comment
Δr10.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr3.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

HCO2 anion + Water = (HCO2 anion • Water)

By formula: CHO2- + H2O = (CHO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.0 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr9.1 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Δr8.40 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B
Δr9.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(HCO2 anion • Water) + Water = (HCO2 anion • 2Water)

By formula: (CHO2- • H2O) + H2O = (CHO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr6.90 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(HCO2 anion • 2Water) + Water = (HCO2 anion • 3Water)

By formula: (CHO2- • 2H2O) + H2O = (CHO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.20 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

CHO3- + Water = CH3O4-

By formula: CHO3- + H2O = CH3O4-

Quantity Value Units Method Reference Comment
Δr15.70 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Quantity Value Units Method Reference Comment
Δr8.50 ± 0.40kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B

(CH2N+ • Hydrogen cyanide) + Water = (CH2N+ • Water • Hydrogen cyanide)

By formula: (CH2N+ • CHN) + H2O = (CH2N+ • H2O • CHN)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20.1kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

CH2N+ + Water = (CH2N+ • Water)

By formula: CH2N+ + H2O = (CH2N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr27.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr29.6kcal/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr28.8cal/mol*KN/ABerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
21.0300.ICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

(CH2N+ • Water • Hydrogen cyanide) + Water = (CH2N+ • 2Water • Hydrogen cyanide)

By formula: (CH2N+ • H2O • CHN) + H2O = (CH2N+ • 2H2O • CHN)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CH2N+ • Water) + Water = (CH2N+ • 2Water)

By formula: (CH2N+ • H2O) + H2O = (CH2N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CH2N+ • 2Water) + Water = (CH2N+ • 3Water)

By formula: (CH2N+ • 2H2O) + H2O = (CH2N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.2kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr26.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

CH2NO5- + Water + Formic acid = CH4NO6-

By formula: CH2NO5- + H2O + CH2O2 = CH4NO6-

Quantity Value Units Method Reference Comment
Δr4.40 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

CH2O2S- + 2Water = CH4O3S-

By formula: CH2O2S- + 2H2O = CH4O3S-

Quantity Value Units Method Reference Comment
Δr10.7 ± 2.0kcal/molN/ASurber and Sanov, 2002gas phase; Stated electron affinity is the Vertical Detachment Energy; B

CH2O4- + 2Water = CH4O5-

By formula: CH2O4- + 2H2O = CH4O5-

Quantity Value Units Method Reference Comment
Δr13.60 ± 0.50kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Quantity Value Units Method Reference Comment
Δr4.8 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B

CH2OH+ + Water = (CH2OH+ • Water)

By formula: CH3O+ + H2O = (CH3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr28.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M
Δr27.9kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977; M
Δr28.5kcal/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr28.6kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr28.7kcal/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr26.9cal/mol*KN/ABerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr26.9cal/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr26.8cal/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr20.4kcal/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr20.5kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

(CH2OH+ • Water) + Water = (CH2OH+ • 2Water)

By formula: (CH3O+ • H2O) + H2O = (CH3O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr19.9kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr19.8kcal/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.2cal/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr26.3cal/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr12.1kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

(CH2OH+ • 2Water) + Water = (CH2OH+ • 3Water)

By formula: (CH3O+ • 2H2O) + H2O = (CH3O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr16.9kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr17.0kcal/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.0cal/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δr26.0cal/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
Δr9.1kcal/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

(CH2OH+ • 3Water) + Water = (CH2OH+ • 4Water)

By formula: (CH3O+ • 3H2O) + H2O = (CH3O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH2OH+ • 4Water) + Water = (CH2OH+ • 5Water)

By formula: (CH3O+ • 4H2O) + H2O = (CH3O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH2OH+ • 5Water) + Water = (CH2OH+ • 6Water)

By formula: (CH3O+ • 5H2O) + H2O = (CH3O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH2OH+ • 6Water) + Water = (CH2OH+ • 7Water)

By formula: (CH3O+ • 6H2O) + H2O = (CH3O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH3O- • Methyl Alcohol) + Water = (CH3O- • Water • Methyl Alcohol)

By formula: (CH3O- • CH4O) + H2O = (CH3O- • H2O • CH4O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr25.9cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH3O- • 2Methyl Alcohol) + Water = (CH3O- • Water • 2Methyl Alcohol)

By formula: (CH3O- • 2CH4O) + H2O = (CH3O- • H2O • 2CH4O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.8kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

CH3O- + Water = (CH3O- • Water)

By formula: CH3O- + H2O = (CH3O- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr25.3 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Δr23.9kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M,B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSMeot-ner and Sieck, 1986gas phase; M
Δr22.9cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr17.00 ± 0.30kcal/molTDAsMeot-ner and Sieck, 1986gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.4296.FAMacKay and Bohme, 1978gas phase; From thermochemical cycle,switching reaction(OH-)H2O, DG>; Meot-Ner(Mautner), 1986; M

(CH3O- • Water • Methyl Alcohol) + Water = (CH3O- • 2Water • Methyl Alcohol)

By formula: (CH3O- • H2O • CH4O) + H2O = (CH3O- • 2H2O • CH4O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.2kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr27.7cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH3O- • Water) + Water = (CH3O- • 2Water)

By formula: (CH3O- • H2O) + H2O = (CH3O- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.2kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2296.FAMacKay and Bohme, 1978gas phase; From thermochemical cycle,switching reaction(OH-)2H2O; Meot-Ner(Mautner), 1986; M

(CH3O- • 2Water) + Water = (CH3O- • 3Water)

By formula: (CH3O- • 2H2O) + H2O = (CH3O- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.8kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.9296.FAMacKay and Bohme, 1978gas phase; From thermochemical cycle,switching reaction(OH-)3H2O; Meot-Ner(Mautner), 1986; M

(CH3O- • 3Water) + Water = (CH3O- • 4Water)

By formula: (CH3O- • 3H2O) + H2O = (CH3O- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.0kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr20.0cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

CH3O3S- + Water = (CH3O3S- • Water)

By formula: CH3O3S- + H2O = (CH3O3S- • H2O)

Quantity Value Units Method Reference Comment
Δr13.9 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

(CH3O3S- • Water) + Water = (CH3O3S- • 2Water)

By formula: (CH3O3S- • H2O) + H2O = (CH3O3S- • 2H2O)

Quantity Value Units Method Reference Comment
Δr12.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

(CH3O3S- • 2Water) + Water = (CH3O3S- • 3Water)

By formula: (CH3O3S- • 2H2O) + H2O = (CH3O3S- • 3H2O)

Quantity Value Units Method Reference Comment
Δr11.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

CH3O4- + 2Water = CH5O5-

By formula: CH3O4- + 2H2O = CH5O5-

Quantity Value Units Method Reference Comment
Δr14.90 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Quantity Value Units Method Reference Comment
Δr6.2 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B

MeS anion + Water = (MeS anion • Water)

By formula: CH3S- + H2O = (CH3S- • H2O)

Quantity Value Units Method Reference Comment
Δr15.00 ± 0.20kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr8.70 ± 0.70kcal/molTDAsSieck and Meot-ner, 1989gas phase; B

(MeS anion • Water) + Water = (MeS anion • 2Water)

By formula: (CH3S- • H2O) + H2O = (CH3S- • 2H2O)

Quantity Value Units Method Reference Comment
Δr13.5kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

(MeS anion • 2Water) + Water = (MeS anion • 3Water)

By formula: (CH3S- • 2H2O) + H2O = (CH3S- • 3H2O)

Quantity Value Units Method Reference Comment
Δr11.1kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr20.5cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

(MeS anion • 3Water) + Water = (MeS anion • 4Water)

By formula: (CH3S- • 3H2O) + H2O = (CH3S- • 4H2O)

Quantity Value Units Method Reference Comment
Δr9.6kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr19.2cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

CH4NO+ + Water = (CH4NO+ • Water)

By formula: CH4NO+ + H2O = (CH4NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr21.3kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr27.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr27.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(CH4NO+ • Water) + Water = (CH4NO+ • 2Water)

By formula: (CH4NO+ • H2O) + H2O = (CH4NO+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr14.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr22.7cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(CH4NO+ • 2Water) + Water = (CH4NO+ • 3Water)

By formula: (CH4NO+ • 2H2O) + H2O = (CH4NO+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr11.8kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr21.0cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(CH4NO+ • 3Water) + Water = (CH4NO+ • 4Water)

By formula: (CH4NO+ • 3H2O) + H2O = (CH4NO+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr9.7kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr20.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(CH4NO+ • 4Water) + Water = (CH4NO+ • 5Water)

By formula: (CH4NO+ • 4H2O) + H2O = (CH4NO+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr9.9kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.6cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr25.6cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH4O5- + 3Water = CH6O6-

By formula: CH4O5- + 3H2O = CH6O6-

Quantity Value Units Method Reference Comment
Δr13.10 ± 0.80kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Quantity Value Units Method Reference Comment
Δr3.3 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B

(CH5O+ • Methyl Alcohol) + Water = (CH5O+ • Water • Methyl Alcohol)

By formula: (CH5O+ • CH4O) + H2O = (CH5O+ • H2O • CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH5O+ • 3Methyl Alcohol) + Water = (CH5O+ • Water • 3Methyl Alcohol)

By formula: (CH5O+ • 3CH4O) + H2O = (CH5O+ • H2O • 3CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.1kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH5O+ • 4Methyl Alcohol) + Water = (CH5O+ • Water • 4Methyl Alcohol)

By formula: (CH5O+ • 4CH4O) + H2O = (CH5O+ • H2O • 4CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

CH5O+ + Water = (CH5O+ • Water)

By formula: CH5O+ + H2O = (CH5O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr27.6kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr25.kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr29.4cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr23.cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • Water • 2Methyl Alcohol) + Water = (CH5O+ • 2Water • 2Methyl Alcohol)

By formula: (CH5O+ • H2O • 2CH4O) + H2O = (CH5O+ • 2H2O • 2CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH5O+ • Water • 3Methyl Alcohol) + Water = (CH5O+ • 2Water • 3Methyl Alcohol)

By formula: (CH5O+ • H2O • 3CH4O) + H2O = (CH5O+ • 2H2O • 3CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.6kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH5O+ • 2Water • Methyl Alcohol) + Water = (CH5O+ • 3Water • Methyl Alcohol)

By formula: (CH5O+ • 2H2O • CH4O) + H2O = (CH5O+ • 3H2O • CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH5O+ • 2Water • 2Methyl Alcohol) + Water = (CH5O+ • 3Water • 2Methyl Alcohol)

By formula: (CH5O+ • 2H2O • 2CH4O) + H2O = (CH5O+ • 3H2O • 2CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.2kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH5O+ • 2Water • 3Methyl Alcohol) + Water = (CH5O+ • 3Water • 3Methyl Alcohol)

By formula: (CH5O+ • 2H2O • 3CH4O) + H2O = (CH5O+ • 3H2O • 3CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.1kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.1272.PHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

(CH5O+ • 3Water • Methyl Alcohol) + Water = (CH5O+ • 4Water • Methyl Alcohol)

By formula: (CH5O+ • 3H2O • CH4O) + H2O = (CH5O+ • 4H2O • CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH5O+ • 3Water • 2Methyl Alcohol) + Water = (CH5O+ • 4Water • 2Methyl Alcohol)

By formula: (CH5O+ • 3H2O • 2CH4O) + H2O = (CH5O+ • 4H2O • 2CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.3kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.2272.PHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

(CH5O+ • 4Water • Methyl Alcohol) + Water = (CH5O+ • 5Water • Methyl Alcohol)

By formula: (CH5O+ • 4H2O • CH4O) + H2O = (CH5O+ • 5H2O • CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5269.PHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

(CH5O+ • Water) + Water = (CH5O+ • 2Water)

By formula: (CH5O+ • H2O) + H2O = (CH5O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr21.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr27.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr28.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • 2Water) + Water = (CH5O+ • 3Water)

By formula: (CH5O+ • 2H2O) + H2O = (CH5O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.1kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr14.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr25.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • 3Water) + Water = (CH5O+ • 4Water)

By formula: (CH5O+ • 3H2O) + H2O = (CH5O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.6kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr11.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr22.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • 4Water) + Water = (CH5O+ • 5Water)

By formula: (CH5O+ • 4H2O) + H2O = (CH5O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr9.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr18.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • 5Water) + Water = (CH5O+ • 6Water)

By formula: (CH5O+ • 5H2O) + H2O = (CH5O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr9.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr22.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • 6Water) + Water = (CH5O+ • 7Water)

By formula: (CH5O+ • 6H2O) + H2O = (CH5O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0269.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

CH5O2- + 2Water = CH7O3-

By formula: CH5O2- + 2H2O = CH7O3-

Quantity Value Units Method Reference Comment
Δr19.2 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr11.70 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

CH5O5- + 3Water = CH7O6-

By formula: CH5O5- + 3H2O = CH7O6-

Quantity Value Units Method Reference Comment
Δr13.60 ± 0.30kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Quantity Value Units Method Reference Comment
Δr4.5 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B

CH5S+ + Water = (CH5S+ • Water)

By formula: CH5S+ + H2O = (CH5S+ • H2O)

Quantity Value Units Method Reference Comment
Δr15.5kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M
Δr13.5kcal/molICRBerman and Beauchamp, 1986gas phase; bracketing; Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2476.PHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M

CH6N+ + Water = (CH6N+ • Water)

By formula: CH6N+ + H2O = (CH6N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr18.8kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Δr18.8kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.3cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M
Δr26.3cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr10.7kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(CH6N+ • Water) + Water = (CH6N+ • 2Water)

By formula: (CH6N+ • H2O) + H2O = (CH6N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr14.6kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Δr14.6kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.7cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M
Δr26.7cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr7.5kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(CH6N+ • 2Water) + Water = (CH6N+ • 3Water)

By formula: (CH6N+ • 2H2O) + H2O = (CH6N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr12.4kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Δr12.4kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.4cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M
Δr26.4cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr5.2kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(CH6N+ • 3Water) + Water = (CH6N+ • 4Water)

By formula: (CH6N+ • 3H2O) + H2O = (CH6N+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH6N+ • 4Water) + Water = (CH6N+ • 5Water)

By formula: (CH6N+ • 4H2O) + H2O = (CH6N+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5269.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(CH6N+ • 5Water) + Water = (CH6N+ • 6Water)

By formula: (CH6N+ • 5H2O) + H2O = (CH6N+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.1259.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

CH7O3- + 3Water = CH9O4-

By formula: CH7O3- + 3H2O = CH9O4-

Quantity Value Units Method Reference Comment
Δr14.8 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr7.50 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

CH7O6- + 4Water = CH9O7-

By formula: CH7O6- + 4H2O = CH9O7-

Quantity Value Units Method Reference Comment
Δr13.40 ± 0.90kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Quantity Value Units Method Reference Comment
Δr3.4 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B

CH9O4- + 4Water = CH11O5-

By formula: CH9O4- + 4H2O = CH11O5-

Quantity Value Units Method Reference Comment
Δr11.0 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr5.10 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

(CN- • Hydrogen cyanide) + Water = (CN- • Water • Hydrogen cyanide)

By formula: (CN- • CHN) + H2O = (CN- • H2O • CHN)

Quantity Value Units Method Reference Comment
Δr12.4 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.7cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr6.5 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

(CN- • 2Hydrogen cyanide) + Water = (CN- • Water • 2Hydrogen cyanide)

By formula: (CN- • 2CHN) + H2O = (CN- • H2O • 2CHN)

Quantity Value Units Method Reference Comment
Δr7.7 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr12.5cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr4.0 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

(CN- • 3Hydrogen cyanide) + Water = (CN- • Water • 3Hydrogen cyanide)

By formula: (CN- • 3CHN) + H2O = (CN- • H2O • 3CHN)

Quantity Value Units Method Reference Comment
Δr9.4 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr3.4 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.2262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

CN- + Water = (CN- • Water)

By formula: CN- + H2O = (CN- • H2O)

Quantity Value Units Method Reference Comment
Δr12.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Δr14.6 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,B,M,M
Δr13.80kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr14.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr18.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Δr19.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr19.6cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Δr19.8cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.20kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B
Δr8.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr8.7 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Δr7.90kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

(CN- • Water • Hydrogen cyanide) + Water = (CN- • 2Water • Hydrogen cyanide)

By formula: (CN- • H2O • CHN) + H2O = (CN- • 2H2O • CHN)

Quantity Value Units Method Reference Comment
Δr9.5 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.5cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr4.2 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

(CN- • Water • 2Hydrogen cyanide) + Water = (CN- • 2Water • 2Hydrogen cyanide)

By formula: (CN- • H2O • 2CHN) + H2O = (CN- • 2H2O • 2CHN)

Quantity Value Units Method Reference Comment
Δr8.9 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr2.9 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.7262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CN- • 2Water • Hydrogen cyanide) + Water = (CN- • 3Water • Hydrogen cyanide)

By formula: (CN- • 2H2O • CHN) + H2O = (CN- • 3H2O • CHN)

Quantity Value Units Method Reference Comment
Δr8.5 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B
Quantity Value Units Method Reference Comment
Δr2.5 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

(CN- • Water) + Water = (CN- • 2Water)

By formula: (CN- • H2O) + H2O = (CN- • 2H2O)

Quantity Value Units Method Reference Comment
Δr11.7 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Δr11.7kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr18.1cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr18.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr6.3 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

(CN- • 2Water) + Water = (CN- • 3Water)

By formula: (CN- • 2H2O) + H2O = (CN- • 3H2O)

Quantity Value Units Method Reference Comment
Δr10.7 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B,M
Δr10.7kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr19.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr7.8 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B

(CN- • 3Water) + Water = (CN- • 4Water)

By formula: (CN- • 3H2O) + H2O = (CN- • 4H2O)

Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr3.8 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M

CO3- + Water = CH2O4-

By formula: CO3- + H2O = CH2O4-

Quantity Value Units Method Reference Comment
Δr14.10 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Δr11.5 ± 1.0kcal/molIMREFehsenfeld and Ferguson, 1974gas phase; B
Δr<38.50kcal/molPDisSmith, Lee, et al., 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr6.60 ± 0.40kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Δr6.70 ± 0.40kcal/molIMREFehsenfeld and Ferguson, 1974gas phase; B

CO3- + Water = (CO3- • Water)

By formula: CO3- + H2O = (CO3- • H2O)

Quantity Value Units Method Reference Comment
Δr14.1kcal/molHPMSKeesee, Lee, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KHPMSKeesee, Lee, et al., 1979gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.7296.FAFehsenfeld and Ferguson, 1974gas phase; M

(CO3- • Water) + Water = (CO3- • 2Water)

By formula: (CO3- • H2O) + H2O = (CO3- • 2H2O)

Quantity Value Units Method Reference Comment
Δr13.6kcal/molHPMSKeesee, Lee, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr29.6cal/mol*KHPMSKeesee, Lee, et al., 1979gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.3296.FAFehsenfeld and Ferguson, 1974gas phase; M

(CO3- • 2Water) + Water = (CO3- • 3Water)

By formula: (CO3- • 2H2O) + H2O = (CO3- • 3H2O)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molHPMSKeesee, Lee, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr32.5cal/mol*KHPMSKeesee, Lee, et al., 1979gas phase; M

C2Cl3O2- + Water = (C2Cl3O2- • Water)

By formula: C2Cl3O2- + H2O = (C2Cl3O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.8kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

CF3CO2 anion + Water = (CF3CO2 anion • Water)

By formula: C2F3O2- + H2O = (C2F3O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.8 ± 1.5kcal/molN/ABlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr13.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.9cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr6.5 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(CF3CO2 anion • Water) + Water = (CF3CO2 anion • 2Water)

By formula: (C2F3O2- • H2O) + H2O = (C2F3O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

C2H- + Water = (C2H- • Water)

By formula: C2H- + H2O = (C2H- • H2O)

Quantity Value Units Method Reference Comment
Δr16.2 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.6cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr10.6 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

C2HCl2O2- + Water = (C2HCl2O2- • Water)

By formula: C2HCl2O2- + H2O = (C2HCl2O2- • H2O)

Quantity Value Units Method Reference Comment
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

(C2HCl2O2- • Water) + Water = (C2HCl2O2- • 2Water)

By formula: (C2HCl2O2- • H2O) + H2O = (C2HCl2O2- • 2H2O)

Quantity Value Units Method Reference Comment
Δr11.9 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

C2HF2O2- + Water = (C2HF2O2- • Water)

By formula: C2HF2O2- + H2O = (C2HF2O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.5 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(C2HF2O2- • Water) + Water = (C2HF2O2- • 2Water)

By formula: (C2HF2O2- • H2O) + H2O = (C2HF2O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

C2HO4- + Water = (C2HO4- • Water)

By formula: C2HO4- + H2O = (C2HO4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.3kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

ClCH2CO2 anion + Water = (ClCH2CO2 anion • Water)

By formula: C2H2ClO2- + H2O = (C2H2ClO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

FCH2CO2 anion + Water = (FCH2CO2 anion • Water)

By formula: C2H2FO2- + H2O = (C2H2FO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr8.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(FCH2CO2 anion • Water) + Water = (FCH2CO2 anion • 2Water)

By formula: (C2H2FO2- • H2O) + H2O = (C2H2FO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(FCH2CO2 anion • 2Water) + Water = (FCH2CO2 anion • 3Water)

By formula: (C2H2FO2- • 2H2O) + H2O = (C2H2FO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

C2H2F3O2+ + Water = (C2H2F3O2+ • Water)

By formula: C2H2F3O2+ + H2O = (C2H2F3O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr28.3kcal/molICRLarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KN/ALarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
21.4309.ICRLarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

ICH2CO2 anion + Water = (ICH2CO2 anion • Water)

By formula: C2H2IO2- + H2O = (C2H2IO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ICH2CO2 anion • Water) + Water = (ICH2CO2 anion • 2Water)

By formula: (C2H2IO2- • H2O) + H2O = (C2H2IO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ICH2CO2 anion • 2Water) + Water = (ICH2CO2 anion • 3Water)

By formula: (C2H2IO2- • 2H2O) + H2O = (C2H2IO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

C2H2N- + Water = (C2H2N- • Water)

By formula: C2H2N- + H2O = (C2H2N- • H2O)

Quantity Value Units Method Reference Comment
Δr13.2 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.6cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr7.9 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

C2H2O+ + Water = (C2H2O+ • Water)

By formula: C2H2O+ + H2O = (C2H2O+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.6kcal/molEIPostma, Ruttink, et al., 1986gas phase; based on AE(CH2CO+)H2O from (HOCH2)2CO+; M

C2H3O+ + Water = (C2H3O+ • Water)

By formula: C2H3O+ + H2O = (C2H3O+ • H2O)

Quantity Value Units Method Reference Comment
Δr24.6kcal/molHPMSDavidson, Lau, et al., 1978gas phase; forms CH3COOH2+; M
Quantity Value Units Method Reference Comment
Δr33.1cal/mol*KHPMSDavidson, Lau, et al., 1978gas phase; forms CH3COOH2+; M

C2H3O- + Water = (C2H3O- • Water)

By formula: C2H3O- + H2O = (C2H3O- • H2O)

Quantity Value Units Method Reference Comment
Δr15.4 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.5cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr9.6 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

(MeCO2 anion • CH3CONHCH(CH3)COOCH3) + Water = (MeCO2 anion • Water • CH3CONHCH(CH3)COOCH3)

By formula: (C2H3O2- • C6H11NO3) + H2O = (C2H3O2- • H2O • C6H11NO3)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

MeCO2 anion + Water = (MeCO2 anion • Water)

By formula: C2H3O2- + H2O = (C2H3O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B
Δr15.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.0 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Δr16.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr15.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr22.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 1.4kcal/molN/AWincel, 2008gas phase; B
Δr9.52kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr9.3 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Δr9.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(MeCO2 anion • Water) + Water = (MeCO2 anion • 2Water)

By formula: (C2H3O2- • H2O) + H2O = (C2H3O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Δr12.9kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr20.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(MeCO2 anion • 2Water) + Water = (MeCO2 anion • 3Water)

By formula: (C2H3O2- • 2H2O) + H2O = (C2H3O2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr11.8kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr5.84kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.9kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M

C2H4F3O+ + Water = (C2H4F3O+ • Water)

By formula: C2H4F3O+ + H2O = (C2H4F3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr30.5kcal/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
23.4309.ICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

(C2H4N+ • Acetonitrile) + Water = (C2H4N+ • Water • Acetonitrile)

By formula: (C2H4N+ • C2H3N) + H2O = (C2H4N+ • H2O • C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.9kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr24.6cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M

C2H4N+ + Water = (C2H4N+ • Water)

By formula: C2H4N+ + H2O = (C2H4N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr22.1 ± 1.4kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID; M
Δr22.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Δr24.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Δr28.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H4N+ • Water • Acetonitrile) + Water = (C2H4N+ • 2Water • Acetonitrile)

By formula: (C2H4N+ • H2O • C2H3N) + H2O = (C2H4N+ • 2H2O • C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.3kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M

(C2H4N+ • Water • 2Acetonitrile) + Water = (C2H4N+ • 2Water • 2Acetonitrile)

By formula: (C2H4N+ • H2O • 2C2H3N) + H2O = (C2H4N+ • 2H2O • 2C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.7kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ADeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.8316.PHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M

(C2H4N+ • 2Water • Acetonitrile) + Water = (C2H4N+ • 3Water • Acetonitrile)

By formula: (C2H4N+ • 2H2O • C2H3N) + H2O = (C2H4N+ • 3H2O • C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M

(C2H4N+ • Water) + Water = (C2H4N+ • 2Water)

By formula: (C2H4N+ • H2O) + H2O = (C2H4N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.0 ± 1.7kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID; M
Δr17.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H4N+ • 2Water) + Water = (C2H4N+ • 3Water)

By formula: (C2H4N+ • 2H2O) + H2O = (C2H4N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H4N+ • 3Water) + Water = (C2H4N+ • 4Water)

By formula: (C2H4N+ • 3H2O) + H2O = (C2H4N+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H4N+ • 4Water) + Water = (C2H4N+ • 5Water)

By formula: (C2H4N+ • 4H2O) + H2O = (C2H4N+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H4N+ • 5Water) + Water = (C2H4N+ • 6Water)

By formula: (C2H4N+ • 5H2O) + H2O = (C2H4N+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

C2H4NO2- + Water = C2H6NO3-

By formula: C2H4NO2- + H2O = C2H6NO3-

Quantity Value Units Method Reference Comment
Δr17.33 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Δr16.00 ± 0.30kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr9.3 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Δr8.20 ± 0.40kcal/molTDAsWincel, 2008gas phase; B

C2H4NO5- + Water + Acetic acid = C2H6NO6-

By formula: C2H4NO5- + H2O + C2H4O2 = C2H6NO6-

Quantity Value Units Method Reference Comment
Δr4.60 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

C2H5F2O+ + Water = (C2H5F2O+ • Water)

By formula: C2H5F2O+ + H2O = (C2H5F2O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr25.kcal/molICRBerman and Beauchamp, 1986gas phase; bracketing; Lias, Liebman, et al., 1984; M

C2H5F3N+ + Water = (C2H5F3N+ • Water)

By formula: C2H5F3N+ + H2O = (C2H5F3N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.1kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr30.0cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

(C2H5F3N+ • Water) + Water = (C2H5F3N+ • 2Water)

By formula: (C2H5F3N+ • H2O) + H2O = (C2H5F3N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.3kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr29.9cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

(C2H5F3N+ • 2Water) + Water = (C2H5F3N+ • 3Water)

By formula: (C2H5F3N+ • 2H2O) + H2O = (C2H5F3N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.2kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr29.2cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

C2H5O+ + Water = (C2H5O+ • Water)

By formula: C2H5O+ + H2O = (C2H5O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr25.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr27.6cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • Water) + Water = (C2H5O+ • 2Water)

By formula: (C2H5O+ • H2O) + H2O = (C2H5O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • 2Water) + Water = (C2H5O+ • 3Water)

By formula: (C2H5O+ • 2H2O) + H2O = (C2H5O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr27.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • 3Water) + Water = (C2H5O+ • 4Water)

By formula: (C2H5O+ • 3H2O) + H2O = (C2H5O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • 4Water) + Water = (C2H5O+ • 5Water)

By formula: (C2H5O+ • 4H2O) + H2O = (C2H5O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr18.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • 5Water) + Water = (C2H5O+ • 6Water)

By formula: (C2H5O+ • 5H2O) + H2O = (C2H5O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • 6Water) + Water = (C2H5O+ • 7Water)

By formula: (C2H5O+ • 6H2O) + H2O = (C2H5O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

C2H5O+ + Water = (C2H5O+ • Water)

By formula: C2H5O+ + H2O = (C2H5O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr21.9kcal/molHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr21.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • Water) + Water = (C2H5O+ • 2Water)

By formula: (C2H5O+ • H2O) + H2O = (C2H5O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • 2Water) + Water = (C2H5O+ • 3Water)

By formula: (C2H5O+ • 2H2O) + H2O = (C2H5O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O+ • 3Water) + Water = (C2H5O+ • 4Water)

By formula: (C2H5O+ • 3H2O) + H2O = (C2H5O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

C2H5O2+ + Water = (C2H5O2+ • Water)

By formula: C2H5O2+ + H2O = (C2H5O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O2+ • Water) + Water = (C2H5O2+ • 2Water)

By formula: (C2H5O2+ • H2O) + H2O = (C2H5O2+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O2+ • 2Water) + Water = (C2H5O2+ • 3Water)

By formula: (C2H5O2+ • 2H2O) + H2O = (C2H5O2+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H5O2+ • 3Water) + Water = (C2H5O2+ • 4Water)

By formula: (C2H5O2+ • 3H2O) + H2O = (C2H5O2+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.8334.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C2H5O2+ • 4Water) + Water = (C2H5O2+ • 5Water)

By formula: (C2H5O2+ • 4H2O) + H2O = (C2H5O2+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.1280.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

C2H5O4- + 2Water = C2H7O5-

By formula: C2H5O4- + 2H2O = C2H7O5-

Quantity Value Units Method Reference Comment
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

C2H6NO2+ + Water = (C2H6NO2+ • Water)

By formula: C2H6NO2+ + H2O = (C2H6NO2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.7293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C2H6NO2+ • Water) + Water = (C2H6NO2+ • 2Water)

By formula: (C2H6NO2+ • H2O) + H2O = (C2H6NO2+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C2H6NO2+ • 2Water) + Water = (C2H6NO2+ • 3Water)

By formula: (C2H6NO2+ • 2H2O) + H2O = (C2H6NO2+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.4293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C2H7O+ • Dimethyl ether) + Water = (C2H7O+ • Water • Dimethyl ether)

By formula: (C2H7O+ • C2H6O) + H2O = (C2H7O+ • H2O • C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.3kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr38.8cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M

C2H7O+ + Water = (C2H7O+ • Water)

By formula: C2H7O+ + H2O = (C2H7O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.4kcal/molPHPMSTholman, Tonner, et al., 1994gas phase; M
Δr24.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr22.6kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr27.2cal/mol*KPHPMSTholman, Tonner, et al., 1994gas phase; M
Δr29.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.5cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; M

(C2H7O+ • Water • Dimethyl ether) + Water = (C2H7O+ • 2Water • Dimethyl ether)

By formula: (C2H7O+ • H2O • C2H6O) + H2O = (C2H7O+ • 2H2O • C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.6kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr24.6cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • Water • 2Dimethyl ether) + Water = (C2H7O+ • 2Water • 2Dimethyl ether)

By formula: (C2H7O+ • H2O • 2C2H6O) + H2O = (C2H7O+ • 2H2O • 2C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr30.3cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • Water • 3Dimethyl ether) + Water = (C2H7O+ • 2Water • 3Dimethyl ether)

By formula: (C2H7O+ • H2O • 3C2H6O) + H2O = (C2H7O+ • 2H2O • 3C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr30.3cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 2Water • Dimethyl ether) + Water = (C2H7O+ • 3Water • Dimethyl ether)

By formula: (C2H7O+ • 2H2O • C2H6O) + H2O = (C2H7O+ • 3H2O • C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.6kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr26.8cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • Water) + Water = (C2H7O+ • 2Water)

By formula: (C2H7O+ • H2O) + H2O = (C2H7O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.3kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 2Water) + Water = (C2H7O+ • 3Water)

By formula: (C2H7O+ • 2H2O) + H2O = (C2H7O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9kcal/molPHPMSTholman, Tonner, et al., 1994gas phase; M
Δr13.8kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KPHPMSTholman, Tonner, et al., 1994gas phase; M
Δr25.4cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 3Water) + Water = (C2H7O+ • 4Water)

By formula: (C2H7O+ • 3H2O) + H2O = (C2H7O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

C2H7O+ + Water = (C2H7O+ • Water)

By formula: C2H7O+ + H2O = (C2H7O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr26.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr24.kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr30.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr26.cal/mol*KPHPMSKebarle, 1977gas phase; M

(C2H7O+ • Water) + Water = (C2H7O+ • 2Water)

By formula: (C2H7O+ • H2O) + H2O = (C2H7O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.7kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr19.2kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr26.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr28.cal/mol*KPHPMSKebarle, 1977gas phase; M

(C2H7O+ • 2Water) + Water = (C2H7O+ • 3Water)

By formula: (C2H7O+ • 2H2O) + H2O = (C2H7O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.4kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr14.2kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr26.cal/mol*KPHPMSKebarle, 1977gas phase; M

(C2H7O+ • 3Water) + Water = (C2H7O+ • 4Water)

By formula: (C2H7O+ • 3H2O) + H2O = (C2H7O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.3kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr12.5kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr26.cal/mol*KPHPMSKebarle, 1977gas phase; M

(C2H7O+ • 4Water) + Water = (C2H7O+ • 5Water)

By formula: (C2H7O+ • 4H2O) + H2O = (C2H7O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.7kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C2H7O+ • 5Water) + Water = (C2H7O+ • 6Water)

By formula: (C2H7O+ • 5H2O) + H2O = (C2H7O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KPHPMSKebarle, 1977gas phase; M

C2H7O2- + Water + Methyl Alcohol = C2H9O3-

By formula: C2H7O2- + H2O + CH4O = C2H9O3-

Quantity Value Units Method Reference Comment
Δr17.8 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr10.10 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

C2H7O5- + 3Water = C2H9O6-

By formula: C2H7O5- + 3H2O = C2H9O6-

Quantity Value Units Method Reference Comment
Δr11.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

C2H7O5S- + 2Water = C2H9O6S-

By formula: C2H7O5S- + 2H2O = C2H9O6S-

Quantity Value Units Method Reference Comment
Δr11.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

C2H7S+ + Water = (C2H7S+ • Water)

By formula: C2H7S+ + H2O = (C2H7S+ • H2O)

Quantity Value Units Method Reference Comment
Δr12.kcal/molICRBerman and Beauchamp, 1986gas phase; bracketing; Lias, Liebman, et al., 1984; M
Δr13.1kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

(C2H7S+ • Water) + Water = (C2H7S+ • 2Water)

By formula: (C2H7S+ • H2O) + H2O = (C2H7S+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr11.6kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

C2H7S+ + Water = (C2H7S+ • Water)

By formula: C2H7S+ + H2O = (C2H7S+ • H2O)

Quantity Value Units Method Reference Comment
Δr14.7kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

C2H8N+ + Water = (C2H8N+ • Water)

By formula: C2H8N+ + H2O = (C2H8N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr9.1kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C2H8N+ • Water) + Water = (C2H8N+ • 2Water)

By formula: (C2H8N+ • H2O) + H2O = (C2H8N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr6.2kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C2H8N+ • 2Water) + Water = (C2H8N+ • 3Water)

By formula: (C2H8N+ • 2H2O) + H2O = (C2H8N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr4.2kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C2H8N+ • 3Water) + Water = (C2H8N+ • 4Water)

By formula: (C2H8N+ • 3H2O) + H2O = (C2H8N+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H8N+ • 4Water) + Water = (C2H8N+ • 5Water)

By formula: (C2H8N+ • 4H2O) + H2O = (C2H8N+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C2H8N+ • 5Water) + Water = (C2H8N+ • 6Water)

By formula: (C2H8N+ • 5H2O) + H2O = (C2H8N+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0255.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

C2H8N+ + Water = (C2H8N+ • Water)

By formula: C2H8N+ + H2O = (C2H8N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.5kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr25.9cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

(C2H8N+ • Water) + Water = (C2H8N+ • 2Water)

By formula: (C2H8N+ • H2O) + H2O = (C2H8N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.7kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr29.7cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

(C2H8N+ • 2Water) + Water = (C2H8N+ • 3Water)

By formula: (C2H8N+ • 2H2O) + H2O = (C2H8N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr30.8cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

C2H8O8S2-2 + 3Water = C2H10O9S2-2

By formula: C2H8O8S2-2 + 3H2O = C2H10O9S2-2

Quantity Value Units Method Reference Comment
Δr7.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C2H9N+ + Water = (C2H9N+ • Water)

By formula: C2H9N+ + H2O = (C2H9N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.8293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

C2H9O3- + 2Water + Methyl Alcohol = C2H11O4-

By formula: C2H9O3- + 2H2O + CH4O = C2H11O4-

Quantity Value Units Method Reference Comment
Δr15.2 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr6.90 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

C2H10O9S2-2 + 4Water = C2H12O10S2-2

By formula: C2H10O9S2-2 + 4H2O = C2H12O10S2-2

Quantity Value Units Method Reference Comment
Δr6.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C2H12O10S2-2 + 5Water = C2H14O11S2-2

By formula: C2H12O10S2-2 + 5H2O = C2H14O11S2-2

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C2H14O11S2-2 + 6Water = C2H16O12S2-2

By formula: C2H14O11S2-2 + 6H2O = C2H16O12S2-2

Quantity Value Units Method Reference Comment
Δr5.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C3H2F3O- + Water = (C3H2F3O- • Water)

By formula: C3H2F3O- + H2O = (C3H2F3O- • H2O)

Quantity Value Units Method Reference Comment
Δr12.8 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Quantity Value Units Method Reference Comment
Δr7.6 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

C3H2F3O- + Water = (C3H2F3O- • Water)

By formula: C3H2F3O- + H2O = (C3H2F3O- • H2O)

Quantity Value Units Method Reference Comment
Δr12.8kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr17.3cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

C3H2N+ + Water = (C3H2N+ • Water)

By formula: C3H2N+ + H2O = (C3H2N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr23.3kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C3H2NO2- + Water = (C3H2NO2- • Water)

By formula: C3H2NO2- + H2O = (C3H2NO2- • H2O)

Quantity Value Units Method Reference Comment
Δr14.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

(C3H2NO2- • Water) + Water = (C3H2NO2- • 2Water)

By formula: (C3H2NO2- • H2O) + H2O = (C3H2NO2- • 2H2O)

Quantity Value Units Method Reference Comment
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

imidazolide anion + Water = (imidazolide anion • Water)

By formula: C3H3N2- + H2O = (C3H3N2- • H2O)

Quantity Value Units Method Reference Comment
Δr15.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(imidazolide anion • Water) + Water = (imidazolide anion • 2Water)

By formula: (C3H3N2- • H2O) + H2O = (C3H3N2- • 2H2O)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr18.2cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(imidazolide anion • 2Water) + Water = (imidazolide anion • 3Water)

By formula: (C3H3N2- • 2H2O) + H2O = (C3H3N2- • 3H2O)

Quantity Value Units Method Reference Comment
Δr12.9kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr29.2cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

C3H3O4- + Water = (C3H3O4- • Water)

By formula: C3H3O4- + H2O = (C3H3O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.3kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C3H3O4- • Water) + Water = (C3H3O4- • 2Water)

By formula: (C3H3O4- • H2O) + H2O = (C3H3O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr4.0kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C3H4N2+ + Water = (C3H4N2+ • Water)

By formula: C3H4N2+ + H2O = (C3H4N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.8kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(C3H4N2+ • Water) + Water = (C3H4N2+ • 2Water)

By formula: (C3H4N2+ • H2O) + H2O = (C3H4N2+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(C3H4N2+ • 2Water) + Water = (C3H4N2+ • 3Water)

By formula: (C3H4N2+ • 2H2O) + H2O = (C3H4N2+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr29.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

C3H4O5- + Water + Acetic acid = C3H6O6-

By formula: C3H4O5- + H2O + C2H4O2 = C3H6O6-

Quantity Value Units Method Reference Comment
Δr4.60 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

C3H5O+ + Water = (C3H5O+ • Water)

By formula: C3H5O+ + H2O = (C3H5O+ • H2O)

Quantity Value Units Method Reference Comment
Δr15.8kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

(C3H5O+ • Water) + Water = (C3H5O+ • 2Water)

By formula: (C3H5O+ • H2O) + H2O = (C3H5O+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

(C3H5O+ • 2Water) + Water = (C3H5O+ • 3Water)

By formula: (C3H5O+ • 2H2O) + H2O = (C3H5O+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr27.4cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

(C3H5O+ • 3Water) + Water = (C3H5O+ • 4Water)

By formula: (C3H5O+ • 3H2O) + H2O = (C3H5O+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr10.8kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

C3H5O+ + Water = (C3H5O+ • Water)

By formula: C3H5O+ + H2O = (C3H5O+ • H2O)

Quantity Value Units Method Reference Comment
Δr23.7kcal/molPHPMSDavidson, Meza-Hojer, et al., 1979gas phase; forms protonated propanoic acid; M
Quantity Value Units Method Reference Comment
Δr35.1cal/mol*KPHPMSDavidson, Meza-Hojer, et al., 1979gas phase; forms protonated propanoic acid; M

(C3H5O+ • 2Water) + Water = (C3H5O+ • 3Water)

By formula: (C3H5O+ • 2H2O) + H2O = (C3H5O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.4kcal/molPHPMSHiraoka and Kebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KPHPMSHiraoka and Kebarle, 1977gas phase; M

(C3H5O+ • 3Water) + Water = (C3H5O+ • 4Water)

By formula: (C3H5O+ • 3H2O) + H2O = (C3H5O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.7kcal/molPHPMSHiraoka and Kebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KPHPMSHiraoka and Kebarle, 1977gas phase; M

C3H5O- + Water = (C3H5O- • Water)

By formula: C3H5O- + H2O = (C3H5O- • H2O)

Quantity Value Units Method Reference Comment
Δr15.8 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Quantity Value Units Method Reference Comment
Δr9.7 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

EtCO2 anion + Water = (EtCO2 anion • Water)

By formula: C3H5O2- + H2O = (C3H5O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr9.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr8.40 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(EtCO2 anion • Water) + Water = (EtCO2 anion • 2Water)

By formula: (C3H5O2- • H2O) + H2O = (C3H5O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr6.90 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(EtCO2 anion • 2Water) + Water = (EtCO2 anion • 3Water)

By formula: (C3H5O2- • 2H2O) + H2O = (C3H5O2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.10 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

MeCH(OH)CO2 anion + Water = (MeCH(OH)CO2 anion • Water)

By formula: C3H5O3- + H2O = (C3H5O3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(MeCH(OH)CO2 anion • Water) + Water = (MeCH(OH)CO2 anion • 2Water)

By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

MeOCH2CO2 anion + Water = (MeOCH2CO2 anion • Water)

By formula: C3H5O3- + H2O = (C3H5O3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr8.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(MeOCH2CO2 anion • Water) + Water = (MeOCH2CO2 anion • 2Water)

By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(MeOCH2CO2 anion • 2Water) + Water = (MeOCH2CO2 anion • 3Water)

By formula: (C3H5O3- • 2H2O) + H2O = (C3H5O3- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

C3H5O5- + 2Water = C3H7O6-

By formula: C3H5O5- + 2H2O = C3H7O6-

Quantity Value Units Method Reference Comment
Δr4.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C3H6+ + Water = (C3H6+ • Water)

By formula: C3H6+ + H2O = (C3H6+ • H2O)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molCIDHolmes, Mommers, et al., 1984gas phase; structure confirmed as ion-dipole complex in Shao, Baer, et al., 1987; M

C3H6NO2- + Water = C3H8NO3-

By formula: C3H6NO2- + H2O = C3H8NO3-

Quantity Value Units Method Reference Comment
Δr15.30 ± 0.40kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr7.80 ± 0.80kcal/molTDAsWincel, 2008gas phase; B

C3H7+ + Water = (C3H7+ • Water)

By formula: C3H7+ + H2O = (C3H7+ • H2O)

Quantity Value Units Method Reference Comment
Δr17.6kcal/molHPMSBeggs and Field, 1971gas phase; ΔrH inconsistent with (CH3)2CHOH2+ product; M
Quantity Value Units Method Reference Comment
Δr27.7cal/mol*KHPMSBeggs and Field, 1971gas phase; ΔrH inconsistent with (CH3)2CHOH2+ product; M

C3H7O+ + Water = (C3H7O+ • Water)

By formula: C3H7O+ + H2O = (C3H7O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C3H7O+ • Water) + Water = (C3H7O+ • 2Water)

By formula: (C3H7O+ • H2O) + H2O = (C3H7O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C3H7O+ • 2Water) + Water = (C3H7O+ • 3Water)

By formula: (C3H7O+ • 2H2O) + H2O = (C3H7O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C3H7O+ • 3Water) + Water = (C3H7O+ • 4Water)

By formula: (C3H7O+ • 3H2O) + H2O = (C3H7O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C3H7O+ • 4Water) + Water = (C3H7O+ • 5Water)

By formula: (C3H7O+ • 4H2O) + H2O = (C3H7O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

C3H7O+ + Water = (C3H7O+ • Water)

By formula: C3H7O+ + H2O = (C3H7O+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr18.8cal/mol*KPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; M

C3H9O+ + Water = (C3H9O+ • Water)

By formula: C3H9O+ + H2O = (C3H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr23.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr28.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • Water) + Water = (C3H9O+ • 2Water)

By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 2Water) + Water = (C3H9O+ • 3Water)

By formula: (C3H9O+ • 2H2O) + H2O = (C3H9O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 3Water) + Water = (C3H9O+ • 4Water)

By formula: (C3H9O+ • 3H2O) + H2O = (C3H9O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.0kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 4Water) + Water = (C3H9O+ • 5Water)

By formula: (C3H9O+ • 4H2O) + H2O = (C3H9O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr20.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 5Water) + Water = (C3H9O+ • 6Water)

By formula: (C3H9O+ • 5H2O) + H2O = (C3H9O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

C3H9O+ + Water = (C3H9O+ • Water)

By formula: C3H9O+ + H2O = (C3H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.3kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; unusually small ΔrH and ΔrS; M
Δr13.5kcal/molHPMSBeggs and Field, 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr13.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; unusually small ΔrH and ΔrS; M
Δr12.7cal/mol*KHPMSBeggs and Field, 1971gas phase; M

(C3H9O+ • Water) + Water = (C3H9O+ • 2Water)

By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.4kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr14.9kcal/molHPMSBeggs and Field, 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr21.5cal/mol*KHPMSBeggs and Field, 1971gas phase; M

(C3H9O+ • 2Water) + Water = (C3H9O+ • 3Water)

By formula: (C3H9O+ • 2H2O) + H2O = (C3H9O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 3Water) + Water = (C3H9O+ • 4Water)

By formula: (C3H9O+ • 3H2O) + H2O = (C3H9O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 4Water) + Water = (C3H9O+ • 5Water)

By formula: (C3H9O+ • 4H2O) + H2O = (C3H9O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.6kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 5Water) + Water = (C3H9O+ • 6Water)

By formula: (C3H9O+ • 5H2O) + H2O = (C3H9O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 6Water) + Water = (C3H9O+ • 7Water)

By formula: (C3H9O+ • 6H2O) + H2O = (C3H9O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M

C3H9S+ + Water = (C3H9S+ • Water)

By formula: C3H9S+ + H2O = (C3H9S+ • H2O)

Quantity Value Units Method Reference Comment
Δr12.6kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6347.PHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

C3H9S+ + Water = (C3H9S+ • Water)

By formula: C3H9S+ + H2O = (C3H9S+ • H2O)

Quantity Value Units Method Reference Comment
Δr14.4kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.1446.PHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

C3H9S+ + Water = (C3H9S+ • Water)

By formula: C3H9S+ + H2O = (C3H9S+ • H2O)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.3418.PHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

C3H9Si+ + Water = (C3H9Si+ • Water)

By formula: C3H9Si+ + H2O = (C3H9Si+ • H2O)

Quantity Value Units Method Reference Comment
Δr30.1 ± 1.9kcal/molPHPMSStone and Wojtyniak, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSStone and Wojtyniak, 1986gas phase; M

(C3H9Si+ • Water) + Water = (C3H9Si+ • 2Water)

By formula: (C3H9Si+ • H2O) + H2O = (C3H9Si+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr19.9kcal/molPHPMSStone and Wytenberg, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr28.1cal/mol*KPHPMSStone and Wytenberg, 1987gas phase; M

C3H9Sn+ + Water = (C3H9Sn+ • Water)

By formula: C3H9Sn+ + H2O = (C3H9Sn+ • H2O)

Quantity Value Units Method Reference Comment
Δr25.7kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr27.6cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.2525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M

(C3H10N+ • 2Methylamine, N,N-dimethyl-) + Water = (C3H10N+ • Water • 2Methylamine, N,N-dimethyl-)

By formula: (C3H10N+ • 2C3H9N) + H2O = (C3H10N+ • H2O • 2C3H9N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.9kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr24.3cal/mol*KPHPMSEl-Shall, Daly, et al., 1992gas phase; M

C3H10N+ + Water = (C3H10N+ • Water)

By formula: C3H10N+ + H2O = (C3H10N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.5kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; M
Δr14.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr14.5kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSEl-Shall, Daly, et al., 1992gas phase; M
Δr24.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr24.1cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr7.6kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C3H10N+ • Water • Methylamine, N,N-dimethyl-) + Water = (C3H10N+ • 2Water • Methylamine, N,N-dimethyl-)

By formula: (C3H10N+ • H2O • C3H9N) + H2O = (C3H10N+ • 2H2O • C3H9N)

Quantity Value Units Method Reference Comment
Δr8.1kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AEl-Shall, Daly, et al., 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.5225.PHPMSEl-Shall, Daly, et al., 1992gas phase; Entropy change calculated or estimated; M

(C3H10N+ • Water) + Water = (C3H10N+ • 2Water)

By formula: (C3H10N+ • H2O) + H2O = (C3H10N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr4.3kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C3H10N+ • 2Water) + Water = (C3H10N+ • 3Water)

By formula: (C3H10N+ • 2H2O) + H2O = (C3H10N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr3.4kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C3H10N+ • 3Water) + Water = (C3H10N+ • 4Water)

By formula: (C3H10N+ • 3H2O) + H2O = (C3H10N+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0254.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M

C3H10N+ + Water = (C3H10N+ • Water)

By formula: C3H10N+ + H2O = (C3H10N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.6kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr15.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr21.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C3H10N+ • Water) + Water = (C3H10N+ • 2Water)

By formula: (C3H10N+ • H2O) + H2O = (C3H10N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.3cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.4293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C3H10N+ • 2Water) + Water = (C3H10N+ • 3Water)

By formula: (C3H10N+ • 2H2O) + H2O = (C3H10N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C3H10N+ • 3Water) + Water = (C3H10N+ • 4Water)

By formula: (C3H10N+ • 3H2O) + H2O = (C3H10N+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

C3H11N2+ + Water = (C3H11N2+ • Water)

By formula: C3H11N2+ + H2O = (C3H11N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.2293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C3H11O3- + Water + 2Methyl Alcohol = C3H13O4-

By formula: C3H11O3- + H2O + 2CH4O = C3H13O4-

Quantity Value Units Method Reference Comment
Δr13.8 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr6.40 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

C4H3O4- + Water = (C4H3O4- • Water)

By formula: C4H3O4- + H2O = (C4H3O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.0kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C4H3O4- + Water = (C4H3O4- • Water)

By formula: C4H3O4- + H2O = (C4H3O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.3kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

pyrrolide anion + Water = (pyrrolide anion • Water)

By formula: C4H4N- + H2O = (C4H4N- • H2O)

Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

(pyrrolide anion • Water) + Water = (pyrrolide anion • 2Water)

By formula: (C4H4N- • H2O) + H2O = (C4H4N- • 2H2O)

Quantity Value Units Method Reference Comment
Δr12.1kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

C4H4O+ + Water = (C4H4O+ • Water)

By formula: C4H4O+ + H2O = (C4H4O+ • H2O)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr17.8cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C4H4S+ + Water = (C4H4S+ • Water)

By formula: C4H4S+ + H2O = (C4H4S+ • H2O)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr17.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C4H5N+ + Water = (C4H5N+ • Water)

By formula: C4H5N+ + H2O = (C4H5N+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr15.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H5N+ • Water) + Water = (C4H5N+ • 2Water)

By formula: (C4H5N+ • H2O) + H2O = (C4H5N+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr8.6kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr15.cal/mol*KN/AHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M

C4H5O+ + Water = (C4H5O+ • Water)

By formula: C4H5O+ + H2O = (C4H5O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr10.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr19.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.2382.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

C4H5O4- + Water = (C4H5O4- • Water)

By formula: C4H5O4- + H2O = (C4H5O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.4kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C4H5O4- • Water) + Water = (C4H5O4- • 2Water)

By formula: (C4H5O4- • H2O) + H2O = (C4H5O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr4.0kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C4H5O5- + 2Water = C4H7O6-

By formula: C4H5O5- + 2H2O = C4H7O6-

Quantity Value Units Method Reference Comment
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C4H5S+ + Water = (C4H5S+ • Water)

By formula: C4H5S+ + H2O = (C4H5S+ • H2O)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr10.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr20.6cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr19.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C4H6N+ + Water = (C4H6N+ • Water)

By formula: C4H6N+ + H2O = (C4H6N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr13.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr22.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9344.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

(C4H6N+ • Water) + Water = (C4H6N+ • 2Water)

By formula: (C4H6N+ • H2O) + H2O = (C4H6N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr10.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr23.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C4H7N2O3- + Water = C4H9N2O4-

By formula: C4H7N2O3- + H2O = C4H9N2O4-

Quantity Value Units Method Reference Comment
Δr12.30 ± 0.50kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr4.4 ± 1.1kcal/molTDAsWincel, 2008gas phase; B

C4H7O2- + Water = C4H9O3-

By formula: C4H7O2- + H2O = C4H9O3-

Quantity Value Units Method Reference Comment
Δr8.60 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

iPrCO2 anion + Water = (iPrCO2 anion • Water)

By formula: C4H7O2- + H2O = (C4H7O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.8 ± 1.6kcal/molIMREMeot-Ner and Sieck, 1986gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9514.PHPMSMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M

C4H7O4- + Water + 2Water = C4H9O5-

By formula: C4H7O4- + H2O + 2H2O = C4H9O5-

Quantity Value Units Method Reference Comment
Δr11.80 ± 0.70kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr5.18kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B

C4H7O5- + 2Water = C4H9O6-

By formula: C4H7O5- + 2H2O = C4H9O6-

Quantity Value Units Method Reference Comment
Δr4.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C4H8N+ + Water = (C4H8N+ • Water)

By formula: C4H8N+ + H2O = (C4H8N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.2kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C4H8N+ + Water = (C4H8N+ • Water)

By formula: C4H8N+ + H2O = (C4H8N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr23.9kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr31.3cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C4H8S+ + Water = (C4H8S+ • Water)

By formula: C4H8S+ + H2O = (C4H8S+ • H2O)

Quantity Value Units Method Reference Comment
Δr10.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; ΔrH<; M

C4H9+ + Water = (C4H9+ • Water)

By formula: C4H9+ + H2O = (C4H9+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSHiraoka and Kebarle, 1977, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KPHPMSHiraoka and Kebarle, 1977, 2gas phase; M

(C4H9+ • 2Water) + Water = (C4H9+ • 3Water)

By formula: (C4H9+ • 2H2O) + H2O = (C4H9+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr17.7kcal/molPHPMSHiraoka and Kebarle, 1977, 2gas phase; may form ((CH3)3COH2+) 2H2O; M
Quantity Value Units Method Reference Comment
Δr29.cal/mol*KPHPMSHiraoka and Kebarle, 1977, 2gas phase; may form ((CH3)3COH2+) 2H2O; M

(C4H9+ • 3Water) + Water = (C4H9+ • 4Water)

By formula: (C4H9+ • 3H2O) + H2O = (C4H9+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr14.kcal/molPHPMSHiraoka and Kebarle, 1977, 3gas phase; may form ((CH3)3COH2+) 3H2O; M
Quantity Value Units Method Reference Comment
Δr28.7cal/mol*KPHPMSHiraoka and Kebarle, 1977, 3gas phase; may form ((CH3)3COH2+) 3H2O; M

C4H9O+ + Water = (C4H9O+ • Water)

By formula: C4H9O+ + H2O = (C4H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H9O+ • Water) + Water = (C4H9O+ • 2Water)

By formula: (C4H9O+ • H2O) + H2O = (C4H9O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C4H9O- + Water = (C4H9O- • Water)

By formula: C4H9O- + H2O = (C4H9O- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr23.4 ± 1.0kcal/molIMREMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr15.0 ± 1.9kcal/molIMREMeot-Ner and Sieck, 1986gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.3505.PHPMSMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M

C4H9O3- + 3Water = C4H11O4-

By formula: C4H9O3- + 3H2O = C4H11O4-

Quantity Value Units Method Reference Comment
Δr6.60 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

C4H9O5- + Water + 3Water = C4H11O6-

By formula: C4H9O5- + H2O + 3H2O = C4H11O6-

Quantity Value Units Method Reference Comment
Δr11.10 ± 0.60kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr3.91kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B

C4H9S+ + Water = (C4H9S+ • Water)

By formula: C4H9S+ + H2O = (C4H9S+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.5kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr19.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H9S+ • Water) + Water = (C4H9S+ • 2Water)

By formula: (C4H9S+ • H2O) + H2O = (C4H9S+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr21.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C4H10N+ + Water = (C4H10N+ • Water)

By formula: C4H10N+ + H2O = (C4H10N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.7kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H10N+ • Water) + Water = (C4H10N+ • 2Water)

By formula: (C4H10N+ • H2O) + H2O = (C4H10N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr25.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C4H10NO+ + Water = (C4H10NO+ • Water)

By formula: C4H10NO+ + H2O = (C4H10NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr16.5kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.3cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(C4H10NO+ • Water) + Water = (C4H10NO+ • 2Water)

By formula: (C4H10NO+ • H2O) + H2O = (C4H10NO+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr12.3kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.4cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(C4H10NO+ • 2Water) + Water = (C4H10NO+ • 3Water)

By formula: (C4H10NO+ • 2H2O) + H2O = (C4H10NO+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.3kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr19.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(C4H10NO+ • 3Water) + Water = (C4H10NO+ • 4Water)

By formula: (C4H10NO+ • 3H2O) + H2O = (C4H10NO+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.4268.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C4H11O2+ • Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ • Water • Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ • C4H10O2) + H2O = (C4H11O2+ • H2O • C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.7kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr27.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

C4H11O2+ + Water = (C4H11O2+ • Water)

By formula: C4H11O2+ + H2O = (C4H11O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.4kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • Water • Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ • 2Water • Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ • H2O • C4H10O2) + H2O = (C4H11O2+ • 2H2O • C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr24.9cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • Water • 2Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ • 2Water • 2Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ • H2O • 2C4H10O2) + H2O = (C4H11O2+ • 2H2O • 2C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 2Water • Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ • 3Water • Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ • 2H2O • C4H10O2) + H2O = (C4H11O2+ • 3H2O • C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 2Water • 2Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ • 3Water • 2Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ • 2H2O • 2C4H10O2) + H2O = (C4H11O2+ • 3H2O • 2C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KN/AMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5225.PHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M

(C4H11O2+ • 3Water • Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ • 4Water • Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ • 3H2O • C4H10O2) + H2O = (C4H11O2+ • 4H2O • C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KN/AMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9225.PHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M

(C4H11O2+ • Water) + Water = (C4H11O2+ • 2Water)

By formula: (C4H11O2+ • H2O) + H2O = (C4H11O2+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.7kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 2Water) + Water = (C4H11O2+ • 3Water)

By formula: (C4H11O2+ • 2H2O) + H2O = (C4H11O2+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 3Water) + Water = (C4H11O2+ • 4Water)

By formula: (C4H11O2+ • 3H2O) + H2O = (C4H11O2+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.8kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 4Water) + Water = (C4H11O2+ • 5Water)

By formula: (C4H11O2+ • 4H2O) + H2O = (C4H11O2+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

C4H11O4- + 3Water = C4H13O5-

By formula: C4H11O4- + 3H2O = C4H13O5-

Quantity Value Units Method Reference Comment
Δr5.10 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

C4H11O6- + Water + 3Water = C4H13O7-

By formula: C4H11O6- + H2O + 3H2O = C4H13O7-

Quantity Value Units Method Reference Comment
Δr11.0 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr4.44kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B

C4H13N2+ + Water = (C4H13N2+ • Water)

By formula: C4H13N2+ + H2O = (C4H13N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

cyclopentadienide anion + Water = (cyclopentadienide anion • Water)

By formula: C5H5- + H2O = (C5H5- • H2O)

Quantity Value Units Method Reference Comment
Δr11.0 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr16.1cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr6.2 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

(cyclopentadienide anion • Water) + Water = (cyclopentadienide anion • 2Water)

By formula: (C5H5- • H2O) + H2O = (C5H5- • 2H2O)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr17.4cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

C5H5ClN+ + Water = (C5H5ClN+ • Water)

By formula: C5H5ClN+ + H2O = (C5H5ClN+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9400.PHPMSDavidson, Sunner J., et al., 1979gas phase; M

C5H5N2O2+ + Water = (C5H5N2O2+ • Water)

By formula: C5H5N2O2+ + H2O = (C5H5N2O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.9400.PHPMSDavidson, Sunner J., et al., 1979gas phase; M

C5H6N+ + Water = (C5H6N+ • Water)

By formula: C5H6N+ + H2O = (C5H6N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.1kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Δr15.0kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Δr25.5cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(C5H6N+ • Water) + Water = (C5H6N+ • 2Water)

By formula: (C5H6N+ • H2O) + H2O = (C5H6N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.6kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(C5H6N+ • 2Water) + Water = (C5H6N+ • 3Water)

By formula: (C5H6N+ • 2H2O) + H2O = (C5H6N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.3kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

C5H6O4-2 + Water = (C5H6O4-2 • Water)

By formula: C5H6O4-2 + H2O = (C5H6O4-2 • H2O)

Quantity Value Units Method Reference Comment
Δr8.1 ± 4.2kcal/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

(C5H6O4-2 • Water) + Water = (C5H6O4-2 • 2Water)

By formula: (C5H6O4-2 • H2O) + H2O = (C5H6O4-2 • 2H2O)

Quantity Value Units Method Reference Comment
Δr12.7 ± 4.2kcal/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

C5H7O4- + Water = (C5H7O4- • Water)

By formula: C5H7O4- + H2O = (C5H7O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.4kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C5H7O4- • Water) + Water = (C5H7O4- • 2Water)

By formula: (C5H7O4- • H2O) + H2O = (C5H7O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.1kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C5H7O4- • Water) + Water = (C5H7O4- • 2Water)

By formula: (C5H7O4- • H2O) + H2O = (C5H7O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr4.2kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C5H7O4-2 + Water = C5H9O5-

By formula: C5H7O4-2 + H2O = C5H9O5-

Quantity Value Units Method Reference Comment
Δr5.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C5H8NO2- + Water = C5H10NO3-

By formula: C5H8NO2- + H2O = C5H10NO3-

Quantity Value Units Method Reference Comment
Δr15.40 ± 0.50kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr7.60 ± 0.90kcal/molTDAsWincel, 2008gas phase; B

C5H9N2O3- + Water = C5H11N2O4-

By formula: C5H9N2O3- + H2O = C5H11N2O4-

Quantity Value Units Method Reference Comment
Δr14.40 ± 0.40kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr5.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B

C5H9O+ + Water = (C5H9O+ • Water)

By formula: C5H9O+ + H2O = (C5H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C5H9O+ • Water) + Water = (C5H9O+ • 2Water)

By formula: (C5H9O+ • H2O) + H2O = (C5H9O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C5H9O+ • 2Water) + Water = (C5H9O+ • 3Water)

By formula: (C5H9O+ • 2H2O) + H2O = (C5H9O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr19.3cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C5H9O+ • 3Water) + Water = (C5H9O+ • 4Water)

By formula: (C5H9O+ • 3H2O) + H2O = (C5H9O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.0284.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C5H9O+ • 4Water) + Water = (C5H9O+ • 5Water)

By formula: (C5H9O+ • 4H2O) + H2O = (C5H9O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5281.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

C5H9O5- + 2Water = C5H11O6-

By formula: C5H9O5- + 2H2O = C5H11O6-

Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C5H9O5- + 2Water = C5H11O6-

By formula: C5H9O5- + 2H2O = C5H11O6-

Quantity Value Units Method Reference Comment
Δr4.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C5H10NO2+ + Water = (C5H10NO2+ • Water)

By formula: C5H10NO2+ + H2O = (C5H10NO2+ • H2O)

Quantity Value Units Method Reference Comment
Δr18.9kcal/molPHPMSMeot-Ner and Field, 1974gas phase; Entropy change is questionable; M
Δr18.9kcal/molPHPMSMeot-Ner and Field, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr36.8cal/mol*KPHPMSMeot-Ner and Field, 1974gas phase; Entropy change is questionable; M
Δr36.8cal/mol*KPHPMSMeot-Ner and Field, 1974gas phase; Entropy change is questionable; M

C5H10NO2- + Water = C5H12NO3-

By formula: C5H10NO2- + H2O = C5H12NO3-

Quantity Value Units Method Reference Comment
Δr14.30 ± 0.40kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr7.20 ± 0.70kcal/molTDAsWincel, 2008gas phase; B

L-Methionine anion + Water = C5H12NO3S-

By formula: C5H10NO2S- + H2O = C5H12NO3S-

Quantity Value Units Method Reference Comment
Δr14.50 ± 0.50kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr7.10 ± 0.80kcal/molTDAsWincel, 2008gas phase; B

C5H11O+ + Water = (C5H11O+ • Water)

By formula: C5H11O+ + H2O = (C5H11O+ • H2O)

Quantity Value Units Method Reference Comment
Δr18.5kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C5H11O+ • Water) + Water = (C5H11O+ • 2Water)

By formula: (C5H11O+ • H2O) + H2O = (C5H11O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C5H12NO2+ + Water = (C5H12NO2+ • Water)

By formula: C5H12NO2+ + H2O = (C5H12NO2+ • H2O)

Quantity Value Units Method Reference Comment
Δr19.3kcal/molPHPMSMeot-Ner and Field, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr36.3cal/mol*KPHPMSMeot-Ner and Field, 1974gas phase; Entropy change is questionable; M

C5H15N2+ + Water = (C5H15N2+ • Water)

By formula: C5H15N2+ + H2O = (C5H15N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C5H16N2+2 + Water = (C5H16N2+2 • Water)

By formula: C5H16N2+2 + H2O = (C5H16N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.6kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KN/ABlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr12.2kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M

(C5H16N2+2 • Water) + Water = (C5H16N2+2 • 2Water)

By formula: (C5H16N2+2 • H2O) + H2O = (C5H16N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.4kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.9cal/mol*KN/ABlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M

C6F6- + Water = C6H2F6O-

By formula: C6F6- + H2O = C6H2F6O-

Quantity Value Units Method Reference Comment
Δr5.30kcal/molN/AEustis, Wang, et al., 2007gas phase; Vertical Detachment Energy: 1.78±0.02 eV. EA is not adiabatic, just threshhold; B

C6H2F6O- + 2Water = C6H4F6O2-

By formula: C6H2F6O- + 2H2O = C6H4F6O2-

Quantity Value Units Method Reference Comment
Δr3.46kcal/molN/AEustis, Wang, et al., 2007gas phase; Vertical Detachment Energy: 1.93±0.03 eV. EA is not adiabatic, just threshhold; B

C6H5NO2- + Water = (C6H5NO2- • Water)

By formula: C6H5NO2- + H2O = (C6H5NO2- • H2O)

Quantity Value Units Method Reference Comment
Δr13.50 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

(C6H5NO2- • Water) + Water = (C6H5NO2- • 2Water)

By formula: (C6H5NO2- • H2O) + H2O = (C6H5NO2- • 2H2O)

Quantity Value Units Method Reference Comment
Δr12.40 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr5.00 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

C6H5N2+ + Water = (C6H5N2+ • Water)

By formula: C6H5N2+ + H2O = (C6H5N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.0400.PHPMSDavidson, Sunner J., et al., 1979gas phase; M

C6H5N2+ + Water = (C6H5N2+ • Water)

By formula: C6H5N2+ + H2O = (C6H5N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(C6H5N2+ • Water) + Water = (C6H5N2+ • 2Water)

By formula: (C6H5N2+ • H2O) + H2O = (C6H5N2+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(C6H5N2+ • 2Water) + Water = (C6H5N2+ • 3Water)

By formula: (C6H5N2+ • 2H2O) + H2O = (C6H5N2+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.9kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(C6H5N2+ • 3Water) + Water = (C6H5N2+ • 4Water)

By formula: (C6H5N2+ • 3H2O) + H2O = (C6H5N2+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.2kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr19.7cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

phenoxide anion + Water = (phenoxide anion • Water)

By formula: C6H5O- + H2O = (C6H5O- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.4kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr23.9cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

phenoxide anion + Water = C6H7O2-

By formula: C6H5O- + H2O = C6H7O2-

Quantity Value Units Method Reference Comment
Δr15.4 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr8.2 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

thiophenoxide anion + Water = (thiophenoxide anion • Water)

By formula: C6H5S- + H2O = (C6H5S- • H2O)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

thiophenoxide anion + Water = C6H7OS-

By formula: C6H5S- + H2O = C6H7OS-

Quantity Value Units Method Reference Comment
Δr11.40 ± 0.20kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr5.60 ± 0.70kcal/molTDAsSieck and Meot-ner, 1989gas phase; B

C6H6ClO+ + Water = (C6H6ClO+ • Water)

By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.9436.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6ClO+ + Water = (C6H6ClO+ • Water)

By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.8443.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6ClO+ + Water = (C6H6ClO+ • Water)

By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.2453.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6NO3+ + Water = (C6H6NO3+ • Water)

By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.7427.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6NO3+ + Water = (C6H6NO3+ • Water)

By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1427.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6NO3+ + Water = (C6H6NO3+ • Water)

By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.8427.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H7+ + Water = (C6H7+ • Water)

By formula: C6H7+ + H2O = (C6H7+ • H2O)

Quantity Value Units Method Reference Comment
Δr17.kcal/molICRBerman and Beauchamp, 1986gas phase; switching reaction(H3O+)H2O, ΔrH<; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M

C6H7ClN+ + Water = (C6H7ClN+ • Water)

By formula: C6H7ClN+ + H2O = (C6H7ClN+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.8kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H7FN+ + Water = (C6H7FN+ • Water)

By formula: C6H7FN+ + H2O = (C6H7FN+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.8kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H7O2+ + Water = (C6H7O2+ • Water)

By formula: C6H7O2+ + H2O = (C6H7O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.9454.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H7O2+ + Water = (C6H7O2+ • Water)

By formula: C6H7O2+ + H2O = (C6H7O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.5454.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H7O4S- + 2Water = C6H9O5S-

By formula: C6H7O4S- + 2H2O = C6H9O5S-

Quantity Value Units Method Reference Comment
Δr11.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

C6H8N+ + Water = (C6H8N+ • Water)

By formula: C6H8N+ + H2O = (C6H8N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.7kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr26.6cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

C6H8N+ + Water = (C6H8N+ • Water)

By formula: C6H8N+ + H2O = (C6H8N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.1kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.6434.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H8NO+ + Water = (C6H8NO+ • Water)

By formula: C6H8NO+ + H2O = (C6H8NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.4400.PHPMSDavidson, Sunner J., et al., 1979gas phase; M

C6H8NO+ + Water = (C6H8NO+ • Water)

By formula: C6H8NO+ + H2O = (C6H8NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H8O4-2 + Water = (C6H8O4-2 • Water)

By formula: C6H8O4-2 + H2O = (C6H8O4-2 • H2O)

Quantity Value Units Method Reference Comment
Δr7.1 ± 4.2kcal/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

(C6H8O4-2 • Water) + Water = (C6H8O4-2 • 2Water)

By formula: (C6H8O4-2 • H2O) + H2O = (C6H8O4-2 • 2H2O)

Quantity Value Units Method Reference Comment
Δr13.4 ± 4.2kcal/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

(C6H8O4-2 • 2Water) + Water = (C6H8O4-2 • 3Water)

By formula: (C6H8O4-2 • 2H2O) + H2O = (C6H8O4-2 • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C6H8O4-2 • 3Water) + Water = (C6H8O4-2 • 4Water)

By formula: (C6H8O4-2 • 3H2O) + H2O = (C6H8O4-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C6H8O4-2 • 4Water) + Water = (C6H8O4-2 • 5Water)

By formula: (C6H8O4-2 • 4H2O) + H2O = (C6H8O4-2 • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C6H8O4-2 • 5Water) + Water = (C6H8O4-2 • 6Water)

By formula: (C6H8O4-2 • 5H2O) + H2O = (C6H8O4-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

C6H9N2+ + Water = (C6H9N2+ • Water)

By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.7kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H9N2+ + Water = (C6H9N2+ • Water)

By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.9kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring protonated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring protonated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
0.4433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring protonated; M

C6H9N2+ + Water = (C6H9N2+ • Water)

By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.4433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H9O4- + Water = (C6H9O4- • Water)

By formula: C6H9O4- + H2O = (C6H9O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.7kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C6H9O4- • Water) + Water = (C6H9O4- • 2Water)

By formula: (C6H9O4- • H2O) + H2O = (C6H9O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr4.4kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C6H9O4-2 + Water = C6H11O5-

By formula: C6H9O4-2 + H2O = C6H11O5-

Quantity Value Units Method Reference Comment
Δr5.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C6H11O5- + 2Water = C6H13O6-

By formula: C6H11O5- + 2H2O = C6H13O6-

Quantity Value Units Method Reference Comment
Δr4.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C6H11O6- + 2Water + 2Water = C6H13O7-

By formula: C6H11O6- + 2H2O + 2H2O = C6H13O7-

Quantity Value Units Method Reference Comment
Δr9.10 ± 0.40kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr2.78kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B

C6H12NO3+ + Water = (C6H12NO3+ • Water)

By formula: C6H12NO3+ + H2O = (C6H12NO3+ • H2O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr13.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(C6H12NO3+ • Water) + Water = (C6H12NO3+ • 2Water)

By formula: (C6H12NO3+ • H2O) + H2O = (C6H12NO3+ • 2H2O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr12.4kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(C6H12NO3+ • 2Water) + Water = (C6H12NO3+ • 3Water)

By formula: (C6H12NO3+ • 2H2O) + H2O = (C6H12NO3+ • 3H2O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

C6H12N3O4+ + Water = (C6H12N3O4+ • Water)

By formula: C6H12N3O4+ + H2O = (C6H12N3O4+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.7293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C6H12N3O4+ • Water) + Water = (C6H12N3O4+ • 2Water)

By formula: (C6H12N3O4+ • H2O) + H2O = (C6H12N3O4+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.8293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C6H13N2O2- + Water = C6H15N2O3-

By formula: C6H13N2O2- + H2O = C6H15N2O3-

Quantity Value Units Method Reference Comment
Δr14.50 ± 0.60kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr7.2 ± 1.0kcal/molTDAsWincel, 2008gas phase; B

C6H13N4O2- + Water = C6H15N4O3-

By formula: C6H13N4O2- + H2O = C6H15N4O3-

Quantity Value Units Method Reference Comment
Δr15.10 ± 0.50kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr5.40 ± 0.90kcal/molTDAsWincel, 2008gas phase; B

C6H13O7- + 2Water + 2Water = C6H15O8-

By formula: C6H13O7- + 2H2O + 2H2O = C6H15O8-

Quantity Value Units Method Reference Comment
Δr8.10 ± 0.10kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr2.35kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B

C6H15Ge+ + Water = (C6H15Ge+ • Water)

By formula: C6H15Ge+ + H2O = (C6H15Ge+ • H2O)

Quantity Value Units Method Reference Comment
Δr24.9kcal/molPHPMSStone and Wytenberg, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr31.6cal/mol*KPHPMSStone and Wytenberg, 1987gas phase; M

(C6H15Ge+ • Water) + Water = (C6H15Ge+ • 2Water)

By formula: (C6H15Ge+ • H2O) + H2O = (C6H15Ge+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr18.4kcal/molPHPMSStone and Wytenberg, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr32.8cal/mol*KPHPMSStone and Wytenberg, 1987gas phase; M

C6H15N2O2+ + Water = (C6H15N2O2+ • Water)

By formula: C6H15N2O2+ + H2O = (C6H15N2O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C6H15O+ + Water = (C6H15O+ • Water)

By formula: C6H15O+ + H2O = (C6H15O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.8kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr28.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O+ • Water) + Water = (C6H15O+ • 2Water)

By formula: (C6H15O+ • H2O) + H2O = (C6H15O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O+ • 2Water) + Water = (C6H15O+ • 3Water)

By formula: (C6H15O+ • 2H2O) + H2O = (C6H15O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O+ • 3Water) + Water = (C6H15O+ • 4Water)

By formula: (C6H15O+ • 3H2O) + H2O = (C6H15O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr23.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O+ • 4Water) + Water = (C6H15O+ • 5Water)

By formula: (C6H15O+ • 4H2O) + H2O = (C6H15O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O+ • 5Water) + Water = (C6H15O+ • 6Water)

By formula: (C6H15O+ • 5H2O) + H2O = (C6H15O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.4kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KN/AMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5234.PHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; Entropy change calculated or estimated; M

(C6H15O3+ • Ethane, 1,1'-oxybis[2-methoxy-) + Water = (C6H15O3+ • Water • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: (C6H15O3+ • C6H14O3) + H2O = (C6H15O3+ • H2O • C6H14O3)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20.6kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr34.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

C6H15O3+ + Water = (C6H15O3+ • Water)

By formula: C6H15O3+ + H2O = (C6H15O3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.6kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr35.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O3+ • Water) + Water = (C6H15O3+ • 2Water)

By formula: (C6H15O3+ • H2O) + H2O = (C6H15O3+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O3+ • 2Water) + Water = (C6H15O3+ • 3Water)

By formula: (C6H15O3+ • 2H2O) + H2O = (C6H15O3+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; DG<=, ΔrH<=, (ΔrS); M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; DG<=, ΔrH<=, (ΔrS); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.8257.PHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; DG<=, ΔrH<=, (ΔrS); M

C6H15S+ + Water = (C6H15S+ • Water)

By formula: C6H15S+ + H2O = (C6H15S+ • H2O)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

C6H16N+ + Water = (C6H16N+ • Water)

By formula: C6H16N+ + H2O = (C6H16N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr27.3cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

C6H16N+ + Water = (C6H16N+ • Water)

By formula: C6H16N+ + H2O = (C6H16N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.2kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr8.4kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

C6H17N2+ + Water = (C6H17N2+ • Water)

By formula: C6H17N2+ + H2O = (C6H17N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C6H18N2+2 + Water = (C6H18N2+2 • Water)

By formula: C6H18N2+2 + H2O = (C6H18N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr21.0cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr11.5kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C6H18N2+2 • Water) + Water = (C6H18N2+2 • 2Water)

By formula: (C6H18N2+2 • H2O) + H2O = (C6H18N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.2kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr10.4kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

benzoate anion + Water = (benzoate anion • Water)

By formula: C7H5O2- + H2O = (C7H5O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr8.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(benzoate anion • Water) + Water = (benzoate anion • 2Water)

By formula: (C7H5O2- • H2O) + H2O = (C7H5O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(benzoate anion • 2Water) + Water = (benzoate anion • 3Water)

By formula: (C7H5O2- • 2H2O) + H2O = (C7H5O2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.5 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

C7H6N+ + Water = (C7H6N+ • Water)

By formula: C7H6N+ + H2O = (C7H6N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.9kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C7H6NO+ + Water = (C7H6NO+ • Water)

By formula: C7H6NO+ + H2O = (C7H6NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.7426.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H7F3N+ + Water = (C7H7F3N+ • Water)

By formula: C7H7F3N+ + H2O = (C7H7F3N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.1kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C7H7N2+ + Water = (C7H7N2+ • Water)

By formula: C7H7N2+ + H2O = (C7H7N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.3kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.8433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C7H7O2+ + Water = (C7H7O2+ • Water)

By formula: C7H7O2+ + H2O = (C7H7O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.7kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; data from graph; M

C7H7O3+ + Water = (C7H7O3+ • Water)

By formula: C7H7O3+ + H2O = (C7H7O3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5452.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H9O+ + Water = (C7H9O+ • Water)

By formula: C7H9O+ + H2O = (C7H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.2454.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H9O+ + Water = (C7H9O+ • Water)

By formula: C7H9O+ + H2O = (C7H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6447.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H9O+ + Water = (C7H9O+ • Water)

By formula: C7H9O+ + H2O = (C7H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.4447.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H10N+ + Water = (C7H10N+ • Water)

By formula: C7H10N+ + H2O = (C7H10N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr25.9cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

C7H10N+ + Water = (C7H10N+ • Water)

By formula: C7H10N+ + H2O = (C7H10N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.5kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.0433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M

C7H10NO+ + Water = (C7H10NO+ • Water)

By formula: C7H10NO+ + H2O = (C7H10NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
0.8433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

C7H10O4-2 + Water = (C7H10O4-2 • Water)

By formula: C7H10O4-2 + H2O = (C7H10O4-2 • H2O)

Quantity Value Units Method Reference Comment
Δr6.0 ± 4.2kcal/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

(C7H10O4-2 • Water) + Water = (C7H10O4-2 • 2Water)

By formula: (C7H10O4-2 • H2O) + H2O = (C7H10O4-2 • 2H2O)

Quantity Value Units Method Reference Comment
Δr13.4 ± 4.2kcal/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

(C7H10O4-2 • 2Water) + Water = (C7H10O4-2 • 3Water)

By formula: (C7H10O4-2 • 2H2O) + H2O = (C7H10O4-2 • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C7H10O4-2 • 3Water) + Water = (C7H10O4-2 • 4Water)

By formula: (C7H10O4-2 • 3H2O) + H2O = (C7H10O4-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C7H10O4-2 • 4Water) + Water = (C7H10O4-2 • 5Water)

By formula: (C7H10O4-2 • 4H2O) + H2O = (C7H10O4-2 • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C7H10O4-2 • 5Water) + Water = (C7H10O4-2 • 6Water)

By formula: (C7H10O4-2 • 5H2O) + H2O = (C7H10O4-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

C7H11N2+ + Water = (C7H11N2+ • Water)

By formula: C7H11N2+ + H2O = (C7H11N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.0kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

C7H11O+ + Water = (C7H11O+ • Water)

By formula: C7H11O+ + H2O = (C7H11O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C7H11O+ • Water) + Water = (C7H11O+ • 2Water)

By formula: (C7H11O+ • H2O) + H2O = (C7H11O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C7H11O+ • 2Water) + Water = (C7H11O+ • 3Water)

By formula: (C7H11O+ • 2H2O) + H2O = (C7H11O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr17.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(C7H11O+ • 3Water) + Water = (C7H11O+ • 4Water)

By formula: (C7H11O+ • 3H2O) + H2O = (C7H11O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5269.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

C7H11O4-2 + Water = (C7H11O4-2 • Water)

By formula: C7H11O4-2 + H2O = (C7H11O4-2 • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.5kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C7H11O4-2 + Water = C7H13O5-

By formula: C7H11O4-2 + H2O = C7H13O5-

Quantity Value Units Method Reference Comment
Δr5.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C7H15O2+ + Water = (C7H15O2+ • Water)

By formula: C7H15O2+ + H2O = (C7H15O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.8kcal/molHPMSField, 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr12.cal/mol*KHPMSField, 1969gas phase; Entropy change is questionable; M

C7H17O4S- + 2Water = C7H19O5S-

By formula: C7H17O4S- + 2H2O = C7H19O5S-

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

C7H19N2+ + Water = (C7H19N2+ • Water)

By formula: C7H19N2+ + H2O = (C7H19N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.4293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C7H22+2 + Water = (C7H22+2 • Water)

By formula: C7H22+2 + H2O = (C7H22+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr11.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C7H22+2 • Water) + Water = (C7H22+2 • 2Water)

By formula: (C7H22+2 • H2O) + H2O = (C7H22+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.2kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.7cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr9.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C7H22+2 • 2Water) + Water = (C7H22+2 • 3Water)

By formula: (C7H22+2 • 2H2O) + H2O = (C7H22+2 • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C7H22+2 • 3Water) + Water = (C7H22+2 • 4Water)

By formula: (C7H22+2 • 3H2O) + H2O = (C7H22+2 • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.1293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C7H22+2 • 4Water) + Water = (C7H22+2 • 5Water)

By formula: (C7H22+2 • 4H2O) + H2O = (C7H22+2 • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.9293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C7H22+2 • 5Water) + Water = (C7H22+2 • 6Water)

By formula: (C7H22+2 • 5H2O) + H2O = (C7H22+2 • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C8H4O4- + Water = (C8H4O4- • Water)

By formula: C8H4O4- + H2O = (C8H4O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.4kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H4O4-2 • 2Water) + Water = (C8H4O4-2 • 3Water)

By formula: (C8H4O4-2 • 2H2O) + H2O = (C8H4O4-2 • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.4kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H4O4-2 • 3Water) + Water = (C8H4O4-2 • 4Water)

By formula: (C8H4O4-2 • 3H2O) + H2O = (C8H4O4-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.3kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H4O4-2 • 4Water) + Water = (C8H4O4-2 • 5Water)

By formula: (C8H4O4-2 • 4H2O) + H2O = (C8H4O4-2 • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.3kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H4O4-2 • 5Water) + Water = (C8H4O4-2 • 6Water)

By formula: (C8H4O4-2 • 5H2O) + H2O = (C8H4O4-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.9kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C8H5O4- + Water = (C8H5O4- • Water)

By formula: C8H5O4- + H2O = (C8H5O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr4.7kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C8H5O4-2 + Water = C8H7O5-

By formula: C8H5O4-2 + H2O = C8H7O5-

Quantity Value Units Method Reference Comment
Δr14.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

C8H10O7-2 + 4Water = C8H12O8-2

By formula: C8H10O7-2 + 4H2O = C8H12O8-2

Quantity Value Units Method Reference Comment
Δr7.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C8H11O+ + Water = (C8H11O+ • Water)

By formula: C8H11O+ + H2O = (C8H11O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.2455.PHPMSMartinsen and Buttrill, 1978gas phase; M

C8H11O+ + Water = (C8H11O+ • Water)

By formula: C8H11O+ + H2O = (C8H11O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9453.PHPMSMartinsen and Buttrill, 1978gas phase; M

C8H11O+ + Water = (C8H11O+ • Water)

By formula: C8H11O+ + H2O = (C8H11O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.6455.PHPMSMartinsen and Buttrill, 1978gas phase; M

C8H12N+ + Water = (C8H12N+ • Water)

By formula: C8H12N+ + H2O = (C8H12N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.2kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr28.8cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

C8H12N+ + Water = (C8H12N+ • Water)

By formula: C8H12N+ + H2O = (C8H12N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.7434.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

C8H12N+ + Water = (C8H12N+ • Water)

By formula: C8H12N+ + H2O = (C8H12N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.9kcal/molPHPMSButtrill, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KPHPMSButtrill, 1983gas phase; M

C8H12O4-2 + Water = (C8H12O4-2 • Water)

By formula: C8H12O4-2 + H2O = (C8H12O4-2 • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.7 ± 4.2kcal/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B
Quantity Value Units Method Reference Comment
Δr5.4kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H12O4-2 • Water) + Water = (C8H12O4-2 • 2Water)

By formula: (C8H12O4-2 • H2O) + H2O = (C8H12O4-2 • 2H2O)

Quantity Value Units Method Reference Comment
Δr14.1 ± 4.2kcal/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

(C8H12O4-2 • 2Water) + Water = (C8H12O4-2 • 3Water)

By formula: (C8H12O4-2 • 2H2O) + H2O = (C8H12O4-2 • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C8H12O4-2 • 3Water) + Water = (C8H12O4-2 • 4Water)

By formula: (C8H12O4-2 • 3H2O) + H2O = (C8H12O4-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C8H12O4-2 • 4Water) + Water = (C8H12O4-2 • 5Water)

By formula: (C8H12O4-2 • 4H2O) + H2O = (C8H12O4-2 • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

(C8H12O4-2 • 5Water) + Water = (C8H12O4-2 • 6Water)

By formula: (C8H12O4-2 • 5H2O) + H2O = (C8H12O4-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B,M

C8H12O8-2 + 5Water = C8H14O9-2

By formula: C8H12O8-2 + 5H2O = C8H14O9-2

Quantity Value Units Method Reference Comment
Δr6.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C8H13O4-2 + Water = C8H15O5-

By formula: C8H13O4-2 + H2O = C8H15O5-

Quantity Value Units Method Reference Comment
Δr5.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C8H14O9-2 + 6Water = C8H16O10-2

By formula: C8H14O9-2 + 6H2O = C8H16O10-2

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C8H15O8- + 3Water + Water = C8H17O9-

By formula: C8H15O8- + 3H2O + H2O = C8H17O9-

Quantity Value Units Method Reference Comment
Δr8.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr0.64kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B

C8H18N3O3+ + Water = (C8H18N3O3+ • Water)

By formula: C8H18N3O3+ + H2O = (C8H18N3O3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C8H20N+ + Water = (C8H20N+ • Water)

By formula: C8H20N+ + H2O = (C8H20N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.5293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H20N+ • Water) + Water = (C8H20N+ • 2Water)

By formula: (C8H20N+ • H2O) + H2O = (C8H20N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.1293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H20N+ • 2Water) + Water = (C8H20N+ • 3Water)

By formula: (C8H20N+ • 2H2O) + H2O = (C8H20N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

C8H21N2+ + Water = (C8H21N2+ • Water)

By formula: C8H21N2+ + H2O = (C8H21N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.4293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C8H22N2+2 + Water = (C8H22N2+2 • Water)

By formula: C8H22N2+2 + H2O = (C8H22N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr10.5kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C8H22N2+2 • Water) + Water = (C8H22N2+2 • 2Water)

By formula: (C8H22N2+2 • H2O) + H2O = (C8H22N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr9.7kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C8H22N2+2 • 2Water) + Water = (C8H22N2+2 • 3Water)

By formula: (C8H22N2+2 • 2H2O) + H2O = (C8H22N2+2 • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.7293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C8H22N2+2 • 3Water) + Water = (C8H22N2+2 • 4Water)

By formula: (C8H22N2+2 • 3H2O) + H2O = (C8H22N2+2 • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.9293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C8H22N2+2 • 4Water) + Water = (C8H22N2+2 • 5Water)

By formula: (C8H22N2+2 • 4H2O) + H2O = (C8H22N2+2 • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.8293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C8H22N2+2 • 5Water) + Water = (C8H22N2+2 • 6Water)

By formula: (C8H22N2+2 • 5H2O) + H2O = (C8H22N2+2 • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C9H10NO2- + Water = C9H12NO3-

By formula: C9H10NO2- + H2O = C9H12NO3-

Quantity Value Units Method Reference Comment
Δr14.50 ± 0.40kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr7.20 ± 0.90kcal/molTDAsWincel, 2008gas phase; B

C9H11O2+ + Water = (C9H11O2+ • Water)

By formula: C9H11O2+ + H2O = (C9H11O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.7kcal/molHPMSField, 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr12.cal/mol*KHPMSField, 1969gas phase; Entropy change is questionable; M

C9H12NO+ + Water = (C9H12NO+ • Water)

By formula: C9H12NO+ + H2O = (C9H12NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.1kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

C9H14N+ + Water = (C9H14N+ • Water)

By formula: C9H14N+ + H2O = (C9H14N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.2kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr30.8cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

C9H14N+ + Water = (C9H14N+ • Water)

By formula: C9H14N+ + H2O = (C9H14N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; (H), ΔrS should be 27.15 cal/mol*K; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; (H), ΔrS should be 27.15 cal/mol*K; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.3394.PHPMSMeot-Ner M. and Sieck, 1983gas phase; (H), ΔrS should be 27.15 cal/mol*K; M

C9H14O4-2 + Water = (C9H14O4-2 • Water)

By formula: C9H14O4-2 + H2O = (C9H14O4-2 • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.3kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C9H14O4-2 • 2Water) + Water = (C9H14O4-2 • 3Water)

By formula: (C9H14O4-2 • 2H2O) + H2O = (C9H14O4-2 • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.6kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C9H14O4-2 • 3Water) + Water = (C9H14O4-2 • 4Water)

By formula: (C9H14O4-2 • 3H2O) + H2O = (C9H14O4-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.9kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C9H14O4-2 • 4Water) + Water = (C9H14O4-2 • 5Water)

By formula: (C9H14O4-2 • 4H2O) + H2O = (C9H14O4-2 • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.9kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C9H14O4-2 • 5Water) + Water = (C9H14O4-2 • 6Water)

By formula: (C9H14O4-2 • 5H2O) + H2O = (C9H14O4-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.2kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C9H20O7-2 + 4Water = C9H22O8-2

By formula: C9H20O7-2 + 4H2O = C9H22O8-2

Quantity Value Units Method Reference Comment
Δr6.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C9H22N+ + Water = (C9H22N+ • Water)

By formula: C9H22N+ + H2O = (C9H22N+ • H2O)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr30.2cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

C9H22O8-2 + 5Water = C9H24O9-2

By formula: C9H22O8-2 + 5H2O = C9H24O9-2

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C9H24N2+2 + Water = (C9H24N2+2 • Water)

By formula: C9H24N2+2 + H2O = (C9H24N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.5kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr10.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C9H24N2+2 • Water) + Water = (C9H24N2+2 • 2Water)

By formula: (C9H24N2+2 • H2O) + H2O = (C9H24N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.4cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr9.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

C9H24O9-2 + 6Water = C9H26O10-2

By formula: C9H24O9-2 + 6H2O = C9H26O10-2

Quantity Value Units Method Reference Comment
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C10H6O6S2-2 + Water = (C10H6O6S2-2 • Water)

By formula: C10H6O6S2-2 + H2O = (C10H6O6S2-2 • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.8kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C10H6O6S2-2 • Water) + Water = (C10H6O6S2-2 • 2Water)

By formula: (C10H6O6S2-2 • H2O) + H2O = (C10H6O6S2-2 • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.0kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C10H6O6S2-2 • 2Water) + Water = (C10H6O6S2-2 • 3Water)

By formula: (C10H6O6S2-2 • 2H2O) + H2O = (C10H6O6S2-2 • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.3kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C10H6O6S2-2 • 3Water) + Water = (C10H6O6S2-2 • 4Water)

By formula: (C10H6O6S2-2 • 3H2O) + H2O = (C10H6O6S2-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.5kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C10H8O7S2-2 + 2Water = C10H10O8S2-2

By formula: C10H8O7S2-2 + 2H2O = C10H10O8S2-2

Quantity Value Units Method Reference Comment
Δr7.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C10H10O8S2-2 + 3Water = C10H12O9S2-2

By formula: C10H10O8S2-2 + 3H2O = C10H12O9S2-2

Quantity Value Units Method Reference Comment
Δr6.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C10H12O9S2-2 + 4Water = C10H14O10S2-2

By formula: C10H12O9S2-2 + 4H2O = C10H14O10S2-2

Quantity Value Units Method Reference Comment
Δr5.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

(C10H16O4-2 • 2Water) + Water = (C10H16O4-2 • 3Water)

By formula: (C10H16O4-2 • 2H2O) + H2O = (C10H16O4-2 • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.4kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C10H16O4-2 • 3Water) + Water = (C10H16O4-2 • 4Water)

By formula: (C10H16O4-2 • 3H2O) + H2O = (C10H16O4-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.7kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C10H16O4-2 • 4Water) + Water = (C10H16O4-2 • 5Water)

By formula: (C10H16O4-2 • 4H2O) + H2O = (C10H16O4-2 • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.8kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C10H16O4-2 • 5Water) + Water = (C10H16O4-2 • 6Water)

By formula: (C10H16O4-2 • 5H2O) + H2O = (C10H16O4-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.1kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C10H17O4- + Water = (C10H17O4- • Water)

By formula: C10H17O4- + H2O = (C10H17O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.0kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C10H19N5O13P2-2 + 4Water = C10H21N5O14P2-2

By formula: C10H19N5O13P2-2 + 4H2O = C10H21N5O14P2-2

Quantity Value Units Method Reference Comment
Δr6.10 ± 0.20kcal/molIMREBlades, Ho, et al., 1996, 3gas phase; Correction to published article: P. Kebarle; B

C10H21O5+ + Water = (C10H21O5+ • Water)

By formula: C10H21O5+ + H2O = (C10H21O5+ • H2O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr21.6kcal/molPHPMSSharma and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr33.0cal/mol*KPHPMSSharma and Kebarle, 1984gas phase; M

C10H22O7-2 + 4Water = C10H24O8-2

By formula: C10H22O7-2 + 4H2O = C10H24O8-2

Quantity Value Units Method Reference Comment
Δr6.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C10H24O8-2 + 5Water = C10H26O9-2

By formula: C10H24O8-2 + 5H2O = C10H26O9-2

Quantity Value Units Method Reference Comment
Δr5.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C10H25N2+ + Water = (C10H25N2+ • Water)

By formula: C10H25N2+ + H2O = (C10H25N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.1293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C10H26N2+2 + Water = (C10H26N2+2 • Water)

By formula: C10H26N2+2 + H2O = (C10H26N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr10.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C10H26N2+2 • Water) + Water = (C10H26N2+2 • 2Water)

By formula: (C10H26N2+2 • H2O) + H2O = (C10H26N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr9.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C10H26N2+2 • 2Water) + Water = (C10H26N2+2 • 3Water)

By formula: (C10H26N2+2 • 2H2O) + H2O = (C10H26N2+2 • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.4293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C10H26N2+2 • 3Water) + Water = (C10H26N2+2 • 4Water)

By formula: (C10H26N2+2 • 3H2O) + H2O = (C10H26N2+2 • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.7293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C10H26N2+2 • 4Water) + Water = (C10H26N2+2 • 5Water)

By formula: (C10H26N2+2 • 4H2O) + H2O = (C10H26N2+2 • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.7293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C10H26N2+2 • 5Water) + Water = (C10H26N2+2 • 6Water)

By formula: (C10H26N2+2 • 5H2O) + H2O = (C10H26N2+2 • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.1293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C10H26O9-2 + 6Water = C10H28O10-2

By formula: C10H26O9-2 + 6H2O = C10H28O10-2

Quantity Value Units Method Reference Comment
Δr5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

C10H27N5O17P2-2 + 8Water = C10H29N5O18P2-2

By formula: C10H27N5O17P2-2 + 8H2O = C10H29N5O18P2-2

Quantity Value Units Method Reference Comment
Δr4.40 ± 0.20kcal/molIMREBlades, Ho, et al., 1996, 3gas phase; Correction to published article: P. Kebarle; B

L-Tryptophan anion + Water = C11H13N2O3-

By formula: C11H11N2O2- + H2O = C11H13N2O3-

Quantity Value Units Method Reference Comment
Δr14.80 ± 0.50kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr6.90 ± 0.90kcal/molTDAsWincel, 2008gas phase; B

C11H18N+ + Water = (C11H18N+ • Water)

By formula: C11H18N+ + H2O = (C11H18N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.8kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr32.1cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

C12H25O6+ + Water = (C12H25O6+ • Water)

By formula: C12H25O6+ + H2O = (C12H25O6+ • H2O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr26.4kcal/molPHPMSSharma and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr34.6cal/mol*KPHPMSSharma and Kebarle, 1984gas phase; M

C12H28N+ + Water = (C12H28N+ • Water)

By formula: C12H28N+ + H2O = (C12H28N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.6kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr36.4cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

C12H29N2+ + Water = (C12H29N2+ • Water)

By formula: C12H29N2+ + H2O = (C12H29N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

C13H9N- + Water = C13H11NO-

By formula: C13H9N- + H2O = C13H11NO-

Quantity Value Units Method Reference Comment
Δr6.5 ± 1.5kcal/molN/AKokubo, Ando, et al., 2004gas phase; B

C13H22N+ + Water = (C13H22N+ • Water)

By formula: C13H22N+ + H2O = (C13H22N+ • H2O)

Bond type: Hydrogen bonds with steric hindrance in positive ions

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr41.cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

Calcium ion (1+) + Water = (Calcium ion (1+) • Water)

By formula: Ca+ + H2O = (Ca+ • H2O)

Quantity Value Units Method Reference Comment
Δr28.kcal/molHPMSKochanski and Constantin, 1987gas phase; M

(Calcium ion (1+) • Water) + Water = (Calcium ion (1+) • 2Water)

By formula: (Ca+ • H2O) + H2O = (Ca+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr24.kcal/molHPMSKochanski and Constantin, 1987gas phase; M

(Calcium ion (1+) • 2Water) + Water = (Calcium ion (1+) • 3Water)

By formula: (Ca+ • 2H2O) + H2O = (Ca+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr21.5kcal/molHPMSKochanski and Constantin, 1987gas phase; M

(Calcium ion (1+) • 3Water) + Water = (Calcium ion (1+) • 4Water)

By formula: (Ca+ • 3H2O) + H2O = (Ca+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr18.7kcal/molHPMSKochanski and Constantin, 1987gas phase; M

(Calcium ion (1+) • 4Water) + Water = (Calcium ion (1+) • 5Water)

By formula: (Ca+ • 4H2O) + H2O = (Ca+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr17.5kcal/molHPMSKochanski and Constantin, 1987gas phase; M

(Ca+2 • 8Water) + Water = (Ca+2 • 9Water)

By formula: (Ca+2 • 8H2O) + H2O = (Ca+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Ca+2 • 9Water) + Water = (Ca+2 • 10Water)

By formula: (Ca+2 • 9H2O) + H2O = (Ca+2 • 10H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.7300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Ca+2 • 10Water) + Water = (Ca+2 • 11Water)

By formula: (Ca+2 • 10H2O) + H2O = (Ca+2 • 11H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Ca+2 • 11Water) + Water = (Ca+2 • 12Water)

By formula: (Ca+2 • 11H2O) + H2O = (Ca+2 • 12H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Chlorine anion • Methyl Alcohol) + Water = (Chlorine anion • Water • Methyl Alcohol)

By formula: (Cl- • CH4O) + H2O = (Cl- • H2O • CH4O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.9kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr16.9cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Chlorine anion • 2Methyl Alcohol) + Water = (Chlorine anion • Water • 2Methyl Alcohol)

By formula: (Cl- • 2CH4O) + H2O = (Cl- • H2O • 2CH4O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.7kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr11.cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Chlorine anion • Hydrogen chloride) + Water = (Chlorine anion • Water • Hydrogen chloride)

By formula: (Cl- • HCl) + H2O = (Cl- • H2O • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M

(Chlorine anion • 2Hydrogen chloride) + Water = (Chlorine anion • Water • 2Hydrogen chloride)

By formula: (Cl- • 2HCl) + H2O = (Cl- • H2O • 2HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.6kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr15.2cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M

Chlorine anion + Water = (Chlorine anion • Water)

By formula: Cl- + H2O = (Cl- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15. ± 5.kcal/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δr19. ± 3.cal/mol*KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr9. ± 4.kcal/molAVGN/AAverage of 9 values; Individual data points

(Chlorine anion • Water • Methyl Alcohol) + Water = (Chlorine anion • 2Water • Methyl Alcohol)

By formula: (Cl- • H2O • CH4O) + H2O = (Cl- • 2H2O • CH4O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr15.5cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Chlorine anion • Water • Hydrogen chloride) + Water = (Chlorine anion • 2Water • Hydrogen chloride)

By formula: (Cl- • H2O • HCl) + H2O = (Cl- • 2H2O • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.6kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in 86 KEE/CAS; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in 86 KEE/CAS; M

(Chlorine anion • Water) + Water = (Chlorine anion • 2Water)

By formula: (Cl- • H2O) + H2O = (Cl- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.5cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr20.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr6.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr6.50kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr6.5 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr6.50kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr6.7kcal/molFAFehsenfeld and Ferguson, 1974gas phase; M

(Chlorine anion • 2Water) + Water = (Chlorine anion • 3Water)

By formula: (Cl- • 2H2O) + H2O = (Cl- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12. ± 2.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr22.4cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr23.2cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr5.0 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

(Chlorine anion • 3Water) + Water = (Chlorine anion • 4Water)

By formula: (Cl- • 3H2O) + H2O = (Cl- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr9.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr10.6 ± 0.3kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr10.90 ± 0.70kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr11.1 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr24.8cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr25.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr3.50kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr3.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.0 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Chlorine anion • 4Water) + Water = (Chlorine anion • 5Water)

By formula: (Cl- • 4H2O) + H2O = (Cl- • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr6.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr9.5 ± 0.3kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr3.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr2.9 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Chlorine anion • 5Water) + Water = (Chlorine anion • 6Water)

By formula: (Cl- • 5H2O) + H2O = (Cl- • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr8.50kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr8.8 ± 0.4kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr2.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 6Water) + Water = (Chlorine anion • 7Water)

By formula: (Cl- • 6H2O) + H2O = (Cl- • 7H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B
Δr6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr8.1kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

(Chlorine anion • Water • Sulfur dioxide) + Water = (Chlorine anion • 2Water • Sulfur dioxide)

By formula: (Cl- • H2O • O2S) + H2O = (Cl- • 2H2O • O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.30kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr3.40kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

(Chlorine anion • Sulfur dioxide) + Water = (Chlorine anion • Water • Sulfur dioxide)

By formula: (Cl- • O2S) + H2O = (Cl- • H2O • O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.40kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.4cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr4.60kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5296.FAFehsenfeld and Ferguson, 1974gas phase; From thermochemical cycle,switching reaction(H2O/SO2); M

(Chlorine anion • 2Sulfur dioxide) + Water = (Chlorine anion • Water • 2Sulfur dioxide)

By formula: (Cl- • 2O2S) + H2O = (Cl- • H2O • 2O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.90kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

ClO2- + Water = (ClO2- • Water)

By formula: ClO2- + H2O = (ClO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.20 ± 0.50kcal/molTherTschurl and Boesl, 2007gas phase; affinity is difference from ClO2- EA, corrected for calculated neutral BE of 0.09 eV; B
Δr16.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr9.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ClO2- • Water) + Water = (ClO2- • 2Water)

By formula: (ClO2- • H2O) + H2O = (ClO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ClO2- • 2Water) + Water = (ClO2- • 3Water)

By formula: (ClO2- • 2H2O) + H2O = (ClO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

ClO3- + Water = (ClO3- • Water)

By formula: ClO3- + H2O = (ClO3- • H2O)

Quantity Value Units Method Reference Comment
Δr13.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

(ClO3- • Water) + Water = (ClO3- • 2Water)

By formula: (ClO3- • H2O) + H2O = (ClO3- • 2H2O)

Quantity Value Units Method Reference Comment
Δr11.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

ClO3- + Water = (ClO3- • Water)

By formula: ClO3- + H2O = (ClO3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.2kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(ClO3- • Water) + Water = (ClO3- • 2Water)

By formula: (ClO3- • H2O) + H2O = (ClO3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr4.7kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

ClO4- + Water = (ClO4- • Water)

By formula: ClO4- + H2O = (ClO4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

Cobalt ion (1+) + Water = (Cobalt ion (1+) • Water)

By formula: Co+ + H2O = (Co+ • H2O)

Quantity Value Units Method Reference Comment
Δr37. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr40.1kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
38.5 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Cobalt ion (1+) • Water) + Water = (Cobalt ion (1+) • 2Water)

By formula: (Co+ • H2O) + H2O = (Co+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr41.9kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
38.7 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Cobalt ion (1+) • 2Water) + Water = (Cobalt ion (1+) • 3Water)

By formula: (Co+ • 2H2O) + H2O = (Co+ • 3H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
15.5 (+1.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Cobalt ion (1+) • 3Water) + Water = (Cobalt ion (1+) • 4Water)

By formula: (Co+ • 3H2O) + H2O = (Co+ • 4H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
13.9 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Co+2 • 9Water) + Water = (Co+2 • 10Water)

By formula: (Co+2 • 9H2O) + H2O = (Co+2 • 10H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.5300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Co+2 • 10Water) + Water = (Co+2 • 11Water)

By formula: (Co+2 • 10H2O) + H2O = (Co+2 • 11H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.7300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Co+2 • 11Water) + Water = (Co+2 • 12Water)

By formula: (Co+2 • 11H2O) + H2O = (Co+2 • 12H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.3300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Chromium ion (1+) + Water = (Chromium ion (1+) • Water)

By formula: Cr+ + H2O = (Cr+ • H2O)

Quantity Value Units Method Reference Comment
Δr29. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr21.9kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
30.8 (+2.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) • Water) + Water = (Chromium ion (1+) • 2Water)

By formula: (Cr+ • H2O) + H2O = (Cr+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr29.5kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
33.9 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) • 2Water) + Water = (Chromium ion (1+) • 3Water)

By formula: (Cr+ • 2H2O) + H2O = (Cr+ • 3H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
12. (+12.,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) • 3Water) + Water = (Chromium ion (1+) • 4Water)

By formula: (Cr+ • 3H2O) + H2O = (Cr+ • 4H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
12.2 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Cesium ion (1+) + Water = (Cesium ion (1+) • Water)

By formula: Cs+ + H2O = (Cs+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.9kcal/molDTMcKnight and Sawina, 1972gas phase; Entropy change is questionable; M
Δr13.7kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr14.3cal/mol*KDTMcKnight and Sawina, 1972gas phase; Entropy change is questionable; M
Δr19.4cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

(Cesium ion (1+) • Water) + Water = (Cesium ion (1+) • 2Water)

By formula: (Cs+ • H2O) + H2O = (Cs+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr11.3kcal/molDTMcKnight and Sawina, 1972gas phase; Entropy change is questionable; M
Δr12.5kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr16.6cal/mol*KDTMcKnight and Sawina, 1972gas phase; Entropy change is questionable; M
Δr22.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr6.0kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Cesium ion (1+) • 2Water) + Water = (Cesium ion (1+) • 3Water)

By formula: (Cs+ • 2H2O) + H2O = (Cs+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr9.7kcal/molDTMcKnight and Sawina, 1972gas phase; Entropy change is questionable; M
Δr11.2kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr16.6cal/mol*KDTMcKnight and Sawina, 1972gas phase; Entropy change is questionable; M
Δr23.7cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.8kcal/molHPMSBanic and Iribarne, 1985gas phase; From thermochemical cycle,switching reaction, electric fields; M

(Cesium ion (1+) • 3Water) + Water = (Cesium ion (1+) • 4Water)

By formula: (Cs+ • 3H2O) + H2O = (Cs+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr10.6kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr25.4cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

(Cesium ion (1+) • Water • Sulfur dioxide) + Water = (Cesium ion (1+) • 2Water • Sulfur dioxide)

By formula: (Cs+ • H2O • O2S) + H2O = (Cs+ • 2H2O • O2S)

Quantity Value Units Method Reference Comment
Δr5.3kcal/molHPMSBanic and Iribarne, 1985gas phase; electeric fields; M

Copper ion (1+) + Water = (Copper ion (1+) • Water)

By formula: Cu+ + H2O = (Cu+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.9kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Δr35. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr35. ± 3.kcal/molCIDMagnera, David, et al., 1989, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Δr4.4kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
37.5 (+1.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Copper ion (1+) • Water) + Water = (Copper ion (1+) • 2Water)

By formula: (Cu+ • H2O) + H2O = (Cu+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Δr39. ± 3.kcal/molCIDMagnera, David, et al., 1989, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Δr6.4kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
40.6 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Copper ion (1+) • 2Water) + Water = (Copper ion (1+) • 3Water)

By formula: (Cu+ • 2H2O) + H2O = (Cu+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr17. ± 3.kcal/molCIDMagnera, David, et al., 1989, 2gas phase; M
Δr16.4kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr23.9cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
13.6 (+1.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Copper ion (1+) • 3Water) + Water = (Copper ion (1+) • 4Water)

By formula: (Cu+ • 3H2O) + H2O = (Cu+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molCIDMagnera, David, et al., 1989, 2gas phase; M
Δr16.7kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr30.2cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
12.9 (+1.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Copper ion (1+) • 4Water) + Water = (Copper ion (1+) • 5Water)

By formula: (Cu+ • 4H2O) + H2O = (Cu+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr29.1cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

Fluorine anion + Water = (Fluorine anion • Water)

By formula: F- + H2O = (F- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr27.40 ± 0.50kcal/molTDAsWeis, Kemper, et al., 1999gas phase; B
Δr23.30kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr21.90 ± 0.50kcal/molTDAsWeis, Kemper, et al., 1999gas phase; B
Δr18.1 ± 2.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

(Fluorine anion • Water) + Water = (Fluorine anion • 2Water)

By formula: (F- • H2O) + H2O = (F- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.20 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M
Δr16.6 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr16.6 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr18.7cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr12.5 ± 1.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Δr11.0 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr11.00kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

(Fluorine anion • 2Water) + Water = (Fluorine anion • 3Water)

By formula: (F- • 2H2O) + H2O = (F- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.30 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr13.7 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr13.7 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr8.4 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr7.6 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr7.60kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

(Fluorine anion • 3Water) + Water = (Fluorine anion • 4Water)

By formula: (F- • 3H2O) + H2O = (F- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.90 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr13.5 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr26.9cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr5.9 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr5.50kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr6.1 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Fluorine anion • 4Water) + Water = (Fluorine anion • 5Water)

By formula: (F- • 4H2O) + H2O = (F- • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.30 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr13.2 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr30.7cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.5 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr7.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.6 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Fluorine anion • 5Water) + Water = (Fluorine anion • 6Water)

By formula: (F- • 5H2O) + H2O = (F- • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.90 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr3.5 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Fluorine anion • 6Water) + Water = (Fluorine anion • 7Water)

By formula: (F- • 6H2O) + H2O = (F- • 7H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.40 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr2.6 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Fluorine anion • 7Water) + Water = (Fluorine anion • 8Water)

By formula: (F- • 7H2O) + H2O = (F- • 8H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.20 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr31.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; 0.4; M
Quantity Value Units Method Reference Comment
Δr1.8 ± 1.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Fluorine anion • 8Water) + Water = (Fluorine anion • 9Water)

By formula: (F- • 8H2O) + H2O = (F- • 9H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.10 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr32.8cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr1.3 ± 2.1kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Fluorine anion • 9Water) + Water = (Fluorine anion • 10Water)

By formula: (F- • 9H2O) + H2O = (F- • 10H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.00kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr33.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.10kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B

Iron ion (1+) + Water = (Iron ion (1+) • Water)

By formula: Fe+ + H2O = (Fe+ • H2O)

Quantity Value Units Method Reference Comment
Δr29. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr32.8kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
30.6 (+1.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • Water) + Water = (Iron ion (1+) • 2Water)

By formula: (Fe+ • H2O) + H2O = (Fe+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr40.8kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
39.2 (+1.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 2Water) + Water = (Iron ion (1+) • 3Water)

By formula: (Fe+ • 2H2O) + H2O = (Fe+ • 3H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
18.2 (+1.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 3Water) + Water = (Iron ion (1+) • 4Water)

By formula: (Fe+ • 3H2O) + H2O = (Fe+ • 4H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
19.6 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Hydrogen anion + Water = (Hydrogen anion • Water)

By formula: H- + H2O = (H- • H2O)

Quantity Value Units Method Reference Comment
Δr17.7 ± 2.0kcal/molN/AMiller, Leopold, et al., 1985gas phase; EA given is Vertical Detachment Energy. Est. Adiabatic: 1.40 eV, 32.3 kcal/mol; B
Δr17.3 ± 3.5kcal/molTherPaulson and Henchman, 1984gas phase; HOH..HO- + H2 ->. See also Griffiths and Harris, 1989; B,M
Δr13.80kcal/molCIDTPaulson and Henchman, 1982gas phase; B

HCaO+ + Water = (HCaO+ • Water)

By formula: HCaO+ + H2O = (HCaO+ • H2O)

Quantity Value Units Method Reference Comment
Δr34.4kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

HO- + Water = (HO- • Water)

By formula: HO- + H2O = (HO- • H2O)

Quantity Value Units Method Reference Comment
Δr28. ± 7.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr19.2 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B
Δr20.1 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Δr20.0 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Δr18.60kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

(HO- • Water) + Water = (HO- • 2Water)

By formula: (HO- • H2O) + H2O = (HO- • 2H2O)

Quantity Value Units Method Reference Comment
Δr17.6 ± 1.0kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Δr17.9 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr11.2 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Δr11.60kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

(HO- • 2Water) + Water = (HO- • 3Water)

By formula: (HO- • 2H2O) + H2O = (HO- • 3H2O)

Quantity Value Units Method Reference Comment
Δr15.1 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr16.2 ± 1.0kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr9.0 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B

(HO- • 3Water) + Water = (HO- • 4Water)

By formula: (HO- • 3H2O) + H2O = (HO- • 4H2O)

Quantity Value Units Method Reference Comment
Δr12.00kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr5.7 ± 1.4kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B

(HO- • 4Water) + Water = (HO- • 5Water)

By formula: (HO- • 4H2O) + H2O = (HO- • 5H2O)

Quantity Value Units Method Reference Comment
Δr11.50kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr4.3 ± 1.4kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B

(HO- • 5Water) + Water = (HO- • 6Water)

By formula: (HO- • 5H2O) + H2O = (HO- • 6H2O)

Quantity Value Units Method Reference Comment
Δr11.20kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr4.2 ± 1.4kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B

(HO- • 6Water) + Water = (HO- • 7Water)

By formula: (HO- • 6H2O) + H2O = (HO- • 7H2O)

Quantity Value Units Method Reference Comment
Δr10.40kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr3.2 ± 1.4kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B

(HO- • 7Water) + Water = (HO- • 8Water)

By formula: (HO- • 7H2O) + H2O = (HO- • 8H2O)

Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; Entropy estimated; B
Quantity Value Units Method Reference Comment
Δr2.6 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; Entropy estimated; B

Hydroxyl anion + Water = (Hydroxyl anion • Water)

By formula: HO- + H2O = (HO- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr27.0 ± 0.9kcal/molAVGN/AAverage of 3 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28.1cal/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
Δr21.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr20.8cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr19.1cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

(Hydroxyl anion • Water) + Water = (Hydroxyl anion • 2Water)

By formula: (HO- • H2O) + H2O = (HO- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr18.kcal/molCIDHierl and Paulson, 1984gas phase; M
Δr17.9kcal/molHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr16.4kcal/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Δr23.kcal/molCIDDePaz, Giardini, et al., 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr21.2cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr19.3cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

(Hydroxyl anion • 2Water) + Water = (Hydroxyl anion • 3Water)

By formula: (HO- • 2H2O) + H2O = (HO- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.2kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr15.1kcal/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Δr18.kcal/molCIDDePaz, Giardini, et al., 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr24.8cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

(Hydroxyl anion • 3Water) + Water = (Hydroxyl anion • 4Water)

By formula: (HO- • 3H2O) + H2O = (HO- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.0kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr14.2kcal/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr29.5cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr5.6kcal/molFAFehsenfeld and Ferguson, 1974gas phase; M

(Hydroxyl anion • 4Water) + Water = (Hydroxyl anion • 5Water)

By formula: (HO- • 4H2O) + H2O = (HO- • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.5kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr14.1kcal/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr33.2cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

(Hydroxyl anion • 5Water) + Water = (Hydroxyl anion • 6Water)

By formula: (HO- • 5H2O) + H2O = (HO- • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

(Hydroxyl anion • 6Water) + Water = (Hydroxyl anion • 7Water)

By formula: (HO- • 6H2O) + H2O = (HO- • 7H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr23.9cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

(Hydroxyl anion • 7Water) + Water = (Hydroxyl anion • 8Water)

By formula: (HO- • 7H2O) + H2O = (HO- • 8H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9245.PHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

HOSr+ + Water = (HOSr+ • Water)

By formula: HOSr+ + H2O = (HOSr+ • H2O)

Quantity Value Units Method Reference Comment
Δr29.9kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

(HO4S- • Nitric acid) + Water = (HO4S- • Water • Nitric acid)

By formula: (HO4S- • HNO3) + H2O = (HO4S- • H2O • HNO3)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

HO4S- + Water = (HO4S- • Water)

By formula: HO4S- + H2O = (HO4S- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(HO4S- • Water) + Water = (HO4S- • 2Water)

By formula: (HO4S- • H2O) + H2O = (HO4S- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(HO4S- • Water • 3Sulfuric Acid) + Water = (HO4S- • 2Water • 3Sulfuric Acid)

By formula: (HO4S- • H2O • 3H2O4S) + H2O = (HO4S- • 2H2O • 3H2O4S)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 2Sulfuric Acid) + Water = (HO4S- • Water • 2Sulfuric Acid)

By formula: (HO4S- • 2H2O4S) + H2O = (HO4S- • H2O • 2H2O4S)

Quantity Value Units Method Reference Comment
Δr12.1kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.3233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 3Sulfuric Acid) + Water = (HO4S- • Water • 3Sulfuric Acid)

By formula: (HO4S- • 3H2O4S) + H2O = (HO4S- • H2O • 3H2O4S)

Quantity Value Units Method Reference Comment
Δr13.8kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 4Sulfuric Acid) + Water = (HO4S- • Water • 4Sulfuric Acid)

By formula: (HO4S- • 4H2O4S) + H2O = (HO4S- • H2O • 4H2O4S)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

HS- + Water = (HS- • Water)

By formula: HS- + H2O = (HS- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Δr14.2kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr18.7cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr8.6 ± 2.0kcal/molTDAsMeot-ner, 1988gas phase; B

(HS- • Water) + Water = (HS- • 2Water)

By formula: (HS- • H2O) + H2O = (HS- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.6kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Δr12.6kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr20.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M

(HS- • 2Water) + Water = (HS- • 3Water)

By formula: (HS- • 2H2O) + H2O = (HS- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Δr11.7kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr23.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M

H2BrO4- + 2Water = H4BrO5-

By formula: H2BrO4- + 2H2O = H4BrO5-

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H2IO4- + 2Water = H4IO5-

By formula: H2IO4- + 2H2O = H4IO5-

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H2N3O- + 2Water = H4N3O2-

By formula: H2N3O- + 2H2O = H4N3O2-

Quantity Value Units Method Reference Comment
Δr10. ± 93.kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 3.78±0.06 eV; B

H2O+ + Water = (H2O+ • Water)

By formula: H2O+ + H2O = (H2O+ • H2O)

Quantity Value Units Method Reference Comment
Δr36.kcal/molPINg, Trevor, et al., 1977gas phase; ΔrH>; M

H2O2- + 2Water = H4O3-

By formula: H2O2- + 2H2O = H4O3-

Quantity Value Units Method Reference Comment
Δr18.4 ± 1.8kcal/molLPESClements, Luong, et al., 2001gas phase; B

H2O3- + Pyridine + Water = C5H7NO3-

By formula: H2O3- + C5H5N + H2O = C5H7NO3-

Quantity Value Units Method Reference Comment
Δr32.7 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

H2O3- + Naphthalene + Water = C10H10O3-

By formula: H2O3- + C10H8 + H2O = C10H10O3-

Quantity Value Units Method Reference Comment
Δr37.8 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

H2O3P- + Water = (H2O3P- • Water)

By formula: H2O3P- + H2O = (H2O3P- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.8kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(H2O3P- • Water) + Water = (H2O3P- • 2Water)

By formula: (H2O3P- • H2O) + H2O = (H2O3P- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.6kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(H2O3P- • 2Water) + Water = (H2O3P- • 3Water)

By formula: (H2O3P- • 2H2O) + H2O = (H2O3P- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.2kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

H2O4P- + Water = (H2O4P- • Water)

By formula: H2O4P- + H2O = (H2O4P- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr21.0cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr7.7kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr7.6kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(H2O4P- • Water) + Water = (H2O4P- • 2Water)

By formula: (H2O4P- • H2O) + H2O = (H2O4P- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr6.1kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr6.1kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(H2O4P- • 2Water) + Water = (H2O4P- • 3Water)

By formula: (H2O4P- • 2H2O) + H2O = (H2O4P- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr4.8kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

H2O7S4-2 + 2Water = H4O8S4-2

By formula: H2O7S4-2 + 2H2O = H4O8S4-2

Quantity Value Units Method Reference Comment
Δr7.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

Hydronium cation + Water = (Hydronium cation • Water)

By formula: H3O+ + H2O = (H3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr32. ± 2.kcal/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28. ± 7.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1300.HPMSArifov, Pozharov, et al., 1971gas phase; M

(Hydronium cation • Water) + Water = (Hydronium cation • 2Water)

By formula: (H3O+ • H2O) + H2O = (H3O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20. ± 1.kcal/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22. ± 4.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.6300.HPMSArifov, Pozharov, et al., 1971gas phase; M

(Hydronium cation • 2Water) + Water = (Hydronium cation • 3Water)

By formula: (H3O+ • 2H2O) + H2O = (H3O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.3 ± 0.9kcal/molAVGN/AAverage of 9 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28. ± 2.cal/mol*KAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr9.4kcal/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.1300.HPMSArifov, Pozharov, et al., 1971gas phase; M
9.2296.SAMSPuckett and Teague, 1971gas phase; M
8.4300.PHPMSGood, Durden, et al., 1970gas phase; M
8.3307.PHPMSGood, Durden, et al., 1970, 2gas phase; M

(Hydronium cation • 3Water) + Water = (Hydronium cation • 4Water)

By formula: (H3O+ • 3H2O) + H2O = (H3O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13. ± 4.kcal/molAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 5.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr5.5kcal/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.8293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
5.4296.SAMSPuckett and Teague, 1971gas phase; M
5.0300.PHPMSGood, Durden, et al., 1970gas phase; M
5.0307.PHPMSGood, Durden, et al., 1970, 2gas phase; M
7.0300.HPMSArifov, Pozharov, et al., 1971gas phase; M

(Hydronium cation • 4Water) + Water = (Hydronium cation • 5Water)

By formula: (H3O+ • 4H2O) + H2O = (H3O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12. ± 2.kcal/molAVGN/AAverage of 5 out of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 4.cal/mol*KAVGN/AAverage of 4 out of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.5293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(Hydronium cation • 5Water) + Water = (Hydronium cation • 6Water)

By formula: (H3O+ • 5H2O) + H2O = (H3O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.7kcal/molPHPMSLau, Ikuta, et al., 1982gas phase; M
Δr11.7kcal/molHPMSKebarle, Searles, et al., 1967gas phase; M
Δr16.09kcal/molMKERShi, Ford, et al., 1993gas phase; Entropy change is questionable; M
Δr6.7kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr26.1cal/mol*KPHPMSLau, Ikuta, et al., 1982gas phase; M
Δr29.6cal/mol*KHPMSKebarle, Searles, et al., 1967gas phase; M
Δr82.69cal/mol*KMKERShi, Ford, et al., 1993gas phase; Entropy change is questionable; M

(Hydronium cation • 6Water) + Water = (Hydronium cation • 7Water)

By formula: (H3O+ • 6H2O) + H2O = (H3O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.7kcal/molCIDMagnera, David, et al., 1991gas phase; M
Δr10.3kcal/molHPMSKebarle, Searles, et al., 1967gas phase; M
Δr12.03kcal/molMKERShi, Ford, et al., 1993gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr27.cal/mol*KHPMSKebarle, Searles, et al., 1967gas phase; M
Δr52.31cal/mol*KMKERShi, Ford, et al., 1993gas phase; Entropy change is questionable; M

(Hydronium cation • 7Water) + Water = (Hydronium cation • 8Water)

By formula: (H3O+ • 7H2O) + H2O = (H3O+ • 8H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.77kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr5.1kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr33.46cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 8Water) + Water = (Hydronium cation • 9Water)

By formula: (H3O+ • 8H2O) + H2O = (H3O+ • 9H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.78kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr5.7kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr26.92cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 9Water) + Water = (Hydronium cation • 10Water)

By formula: (H3O+ • 9H2O) + H2O = (H3O+ • 10H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.88kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.7kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr25.77cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 10Water) + Water = (Hydronium cation • 11Water)

By formula: (H3O+ • 10H2O) + H2O = (H3O+ • 11H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.30kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.7kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr26.92cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 11Water) + Water = (Hydronium cation • 12Water)

By formula: (H3O+ • 11H2O) + H2O = (H3O+ • 12H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.83kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.9kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr33.62cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 12Water) + Water = (Hydronium cation • 13Water)

By formula: (H3O+ • 12H2O) + H2O = (H3O+ • 13H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.30kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.7kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr37.92cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 13Water) + Water = (Hydronium cation • 14Water)

By formula: (H3O+ • 13H2O) + H2O = (H3O+ • 14H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.60kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.8kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr39.85cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 14Water) + Water = (Hydronium cation • 15Water)

By formula: (H3O+ • 14H2O) + H2O = (H3O+ • 15H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.72kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.7kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr40.38cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 15Water) + Water = (Hydronium cation • 16Water)

By formula: (H3O+ • 15H2O) + H2O = (H3O+ • 16H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.82kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.0kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr42.15cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 16Water) + Water = (Hydronium cation • 17Water)

By formula: (H3O+ • 16H2O) + H2O = (H3O+ • 17H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.76kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.6kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr41.38cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 17Water) + Water = (Hydronium cation • 18Water)

By formula: (H3O+ • 17H2O) + H2O = (H3O+ • 18H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.75kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.3kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr40.62cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 18Water) + Water = (Hydronium cation • 19Water)

By formula: (H3O+ • 18H2O) + H2O = (H3O+ • 19H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.66kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr7.0kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr41.00cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 19Water) + Water = (Hydronium cation • 20Water)

By formula: (H3O+ • 19H2O) + H2O = (H3O+ • 20H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.54kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr9.1kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr39.62cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 20Water) + Water = (Hydronium cation • 21Water)

By formula: (H3O+ • 20H2O) + H2O = (H3O+ • 21H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.43kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr7.3kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr37.46cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 21Water) + Water = (Hydronium cation • 22Water)

By formula: (H3O+ • 21H2O) + H2O = (H3O+ • 22H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.32kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr5.9kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr39.46cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 22Water) + Water = (Hydronium cation • 23Water)

By formula: (H3O+ • 22H2O) + H2O = (H3O+ • 23H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.45kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.4kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr38.92cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 23Water) + Water = (Hydronium cation • 24Water)

By formula: (H3O+ • 23H2O) + H2O = (H3O+ • 24H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.28kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.6kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr37.46cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 24Water) + Water = (Hydronium cation • 25Water)

By formula: (H3O+ • 24H2O) + H2O = (H3O+ • 25H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.06kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr7.1kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr36.16cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 25Water) + Water = (Hydronium cation • 26Water)

By formula: (H3O+ • 25H2O) + H2O = (H3O+ • 26H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.72kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.3kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr32.85cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 26Water) + Water = (Hydronium cation • 27Water)

By formula: (H3O+ • 26H2O) + H2O = (H3O+ • 27H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.41kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr8.2kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr30.92cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 27Water) + Water = (Hydronium cation • 28Water)

By formula: (H3O+ • 27H2O) + H2O = (H3O+ • 28H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.06kcal/molMKERShi, Ford, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr27.77cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

H3S+ + Water = (H3S+ • Water)

By formula: H3S+ + H2O = (H3S+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.2kcal/molPHPMSHiraoka and Kebarle, 1977, 2gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KPHPMSHiraoka and Kebarle, 1977, 2gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M

(H3S+ • Water) + Water = (H3S+ • 2Water)

By formula: (H3S+ • H2O) + H2O = (H3S+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20.3kcal/molPHPMSHiraoka and Kebarle, 1977, 2gas phase; From thermochemical cycle,switching reaction(H3O+ H2O)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSHiraoka and Kebarle, 1977, 2gas phase; From thermochemical cycle,switching reaction(H3O+ H2O)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M

(H3S+ • 2Water) + Water = (H3S+ • 3Water)

By formula: (H3S+ • 2H2O) + H2O = (H3S+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr4.4kcal/molPIWalters and Blais, 1984gas phase; M

(H3S+ • Hydrogen sulfide) + Water = (H3S+ • Water • Hydrogen sulfide)

By formula: (H3S+ • H2S) + H2O = (H3S+ • H2O • H2S)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.1kcal/molPHPMSHiraoka and Kebarle, 1977, 2gas phase; From thermochemical cycle,switching reaction(H3S+ H2O)H2O; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSHiraoka and Kebarle, 1977, 2gas phase; From thermochemical cycle,switching reaction(H3S+ H2O)H2O; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M

H4ClO2- + Methyl Alcohol + 2Water = CH8ClO3-

By formula: H4ClO2- + CH4O + 2H2O = CH8ClO3-

Quantity Value Units Method Reference Comment
Δr10.40 ± 0.20kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr11.40 ± 0.30kcal/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B
Quantity Value Units Method Reference Comment
Δr5.80kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr6.00kcal/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B

H4IO5- + 3Water = H6IO6-

By formula: H4IO5- + 3H2O = H6IO6-

Quantity Value Units Method Reference Comment
Δr11.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

NH4+ + Water = (NH4+ • Water)

By formula: H4N+ + H2O = (H4N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; M
Δr19.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr17.3kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr24.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; M
Δr23.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr19.7cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Water) + Water = (NH4+ • 2Water)

By formula: (H4N+ • H2O) + H2O = (H4N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
Δr13.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M
Δr14.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
Δr22.0cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M
Δr21.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6414.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M

(NH4+ • 2Water) + Water = (NH4+ • 3Water)

By formula: (H4N+ • 2H2O) + H2O = (H4N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.7kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; M
Δr13.4kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Δr12.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; M
Δr25.1cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Δr21.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr6.5kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(NH4+ • 3Water) + Water = (NH4+ • 4Water)

By formula: (H4N+ • 3H2O) + H2O = (H4N+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr12.2kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr27.3cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr5.0kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(NH4+ • 4Water) + Water = (NH4+ • 5Water)

By formula: (H4N+ • 4H2O) + H2O = (H4N+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr9.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr22.4cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 5Water) + Water = (NH4+ • 6Water)

By formula: (H4N+ • 5H2O) + H2O = (H4N+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.2266.PHPMSMeot-Ner (Mautner), 1984gas phase; M

(NH4+ • 6Water) + Water = (NH4+ • 7Water)

By formula: (H4N+ • 6H2O) + H2O = (H4N+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.8254.PHPMSMeot-Ner (Mautner), 1984gas phase; M

(NH4+ • Water • Ammonia) + Water = (NH4+ • 2Water • Ammonia)

By formula: (H4N+ • H2O • H3N) + H2O = (H4N+ • 2H2O • H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Water • 2Ammonia) + Water = (NH4+ • 2Water • 2Ammonia)

By formula: (H4N+ • H2O • 2H3N) + H2O = (H4N+ • 2H2O • 2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 2Water • Ammonia) + Water = (NH4+ • 3Water • Ammonia)

By formula: (H4N+ • 2H2O • H3N) + H2O = (H4N+ • 3H2O • H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr28.5cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Water • Sulfur dioxide) + Water = (NH4+ • 2Water • Sulfur dioxide)

By formula: (H4N+ • H2O • O2S) + H2O = (H4N+ • 2H2O • O2S)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.4kcal/molHPMSBanic and Iribarne, 1985gas phase; From thermochemical cycle,switching reaction, electric fields; M

(NH4+ • 2Water • Sulfur dioxide) + Water = (NH4+ • 3Water • Sulfur dioxide)

By formula: (H4N+ • 2H2O • O2S) + H2O = (H4N+ • 3H2O • O2S)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.2kcal/molHPMSBanic and Iribarne, 1985gas phase; From thermochemical cycle,switching reaction, electric fields; M

(NH4+ • Ammonia) + Water = (NH4+ • Water • Ammonia)

By formula: (H4N+ • H3N) + H2O = (H4N+ • H2O • H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 2Ammonia) + Water = (NH4+ • Water • 2Ammonia)

By formula: (H4N+ • 2H3N) + H2O = (H4N+ • H2O • 2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.4kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr24.6cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 3Ammonia) + Water = (NH4+ • Water • 3Ammonia)

By formula: (H4N+ • 3H3N) + H2O = (H4N+ • H2O • 3H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr27.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

H4N3O2- + 3Water = H6N3O3-

By formula: H4N3O2- + 3H2O = H6N3O3-

Quantity Value Units Method Reference Comment
Δr10.60kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 4.25±0.06 eV; B

H4O3P- + 2Water = H6O4P-

By formula: H4O3P- + 2H2O = H6O4P-

Quantity Value Units Method Reference Comment
Δr13.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H4O4- + Naphthalene + 2Water = C10H12O4-

By formula: H4O4- + C10H8 + 2H2O = C10H12O4-

Quantity Value Units Method Reference Comment
Δr52.3 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

H4O4P- + 2Water = H6O5P-

By formula: H4O4P- + 2H2O = H6O5P-

Quantity Value Units Method Reference Comment
Δr13.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H4O5P- + 2Water = H6O6P-

By formula: H4O5P- + 2H2O = H6O6P-

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.0kcal/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.50kcal/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H4O8S4-2 + 3Water = H6O9S4-2

By formula: H4O8S4-2 + 3H2O = H6O9S4-2

Quantity Value Units Method Reference Comment
Δr6.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H4O10S2-2 + 3Water = H6O11S2-2

By formula: H4O10S2-2 + 3H2O = H6O11S2-2

Quantity Value Units Method Reference Comment
Δr7.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H4P+ + Water = (H4P+ • Water)

By formula: H4P+ + H2O = (H4P+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.kcal/molICRBerman and Beauchamp, 1986gas phase; bracketing; Meot-Ner, 1984, 2, Lias, Liebman, et al., 1984; M

H6N3O3- + 4Water = H8N3O4-

By formula: H6N3O3- + 4H2O = H8N3O4-

Quantity Value Units Method Reference Comment
Δr7.80kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 4.63±0.06 eV; B

H6O4P- + 3Water = H8O5P-

By formula: H6O4P- + 3H2O = H8O5P-

Quantity Value Units Method Reference Comment
Δr11.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H6O5P- + 3Water = H8O6P-

By formula: H6O5P- + 3H2O = H8O6P-

Quantity Value Units Method Reference Comment
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H6O6P- + 3Water = H8O7P-

By formula: H6O6P- + 3H2O = H8O7P-

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.0kcal/molTDAsBlades, Ho, et al., 1996, 3gas phase; B
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.1 ± 1.0kcal/molTDAsBlades, Ho, et al., 1996, 3gas phase; B
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H6O9S2-2 + 4Water = H8O10S2-2

By formula: H6O9S2-2 + 4H2O = H8O10S2-2

Quantity Value Units Method Reference Comment
Δr8.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H6O9S4-2 + 4Water = H8O10S4-2

By formula: H6O9S4-2 + 4H2O = H8O10S4-2

Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H6O11S2-2 + 4Water = H8O12S2-2

By formula: H6O11S2-2 + 4H2O = H8O12S2-2

Quantity Value Units Method Reference Comment
Δr6.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H8N3O4- + 5Water = H10N3O5-

By formula: H8N3O4- + 5H2O = H10N3O5-

Quantity Value Units Method Reference Comment
Δr3.70kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change from (H2O)n-1..N3- ion. Vertical Detachment Energy: 4.85±0.06 eV; B

H8O10S2-2 + 5Water = H10O11S2-2

By formula: H8O10S2-2 + 5H2O = H10O11S2-2

Quantity Value Units Method Reference Comment
Δr7.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H8O10S4-2 + 5Water = H10O11S4-2

By formula: H8O10S4-2 + 5H2O = H10O11S4-2

Quantity Value Units Method Reference Comment
Δr5.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H8O12S2-2 + 5Water = H10O13S2-2

By formula: H8O12S2-2 + 5H2O = H10O13S2-2

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H10N3O5- + 6Water = H12N3O6-

By formula: H10N3O5- + 6H2O = H12N3O6-

Quantity Value Units Method Reference Comment
Δr3.70kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.03±0.08 eV; B

H10O8S2-2 + 6Water = H12O9S2-2

By formula: H10O8S2-2 + 6H2O = H12O9S2-2

Quantity Value Units Method Reference Comment
Δr7.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H10O11S2-2 + 6Water = H12O12S2-2

By formula: H10O11S2-2 + 6H2O = H12O12S2-2

Quantity Value Units Method Reference Comment
Δr6.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H10O13S2-2 + 6Water = H12O14S2-2

By formula: H10O13S2-2 + 6H2O = H12O14S2-2

Quantity Value Units Method Reference Comment
Δr5.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H12N3O6- + 7Water = H14N3O7-

By formula: H12N3O6- + 7H2O = H14N3O7-

Quantity Value Units Method Reference Comment
Δr3.20kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.25±0.08 eV; B

H12O9S2-2 + 7Water = H14O10S2-2

By formula: H12O9S2-2 + 7H2O = H14O10S2-2

Quantity Value Units Method Reference Comment
Δr6.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H12O10S-2 + 7Water = H14O11S-2

By formula: H12O10S-2 + 7H2O = H14O11S-2

Quantity Value Units Method Reference Comment
Δr13.9 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr7.5 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Δr7.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H12O10Se-2 + 7Water = H14O11Se-2

By formula: H12O10Se-2 + 7H2O = H14O11Se-2

Quantity Value Units Method Reference Comment
Δr7.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H12O12P2-2 + 6Water = H14O13P2-2

By formula: H12O12P2-2 + 6H2O = H14O13P2-2

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.20kcal/molIMREBlades, Ho, et al., 1996, 3gas phase; Correction to published article: P. Kebarle; B

H12O12S2-2 + 7Water = H14O13S2-2

By formula: H12O12S2-2 + 7H2O = H14O13S2-2

Quantity Value Units Method Reference Comment
Δr5.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H14N3O7- + 8Water = H16N3O8-

By formula: H14N3O7- + 8H2O = H16N3O8-

Quantity Value Units Method Reference Comment
Δr3.20kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.42±0.08 eV; B

H14O10S2-2 + 8Water = H16O11S2-2

By formula: H14O10S2-2 + 8H2O = H16O11S2-2

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H14O11S-2 + 8Water = H16O12S-2

By formula: H14O11S-2 + 8H2O = H16O12S-2

Quantity Value Units Method Reference Comment
Δr12.4 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr6.8 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Δr6.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H14O11Se-2 + 8Water = H16O12Se-2

By formula: H14O11Se-2 + 8H2O = H16O12Se-2

Quantity Value Units Method Reference Comment
Δr6.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H14O13S2-2 + 8Water = H16O14S2-2

By formula: H14O13S2-2 + 8H2O = H16O14S2-2

Quantity Value Units Method Reference Comment
Δr5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H16N3O8- + 9Water = H18N3O9-

By formula: H16N3O8- + 9H2O = H18N3O9-

Quantity Value Units Method Reference Comment
Δr3.20kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.55±0.08 eV; B

H16O11S2-2 + 9Water = H18O12S2-2

By formula: H16O11S2-2 + 9H2O = H18O12S2-2

Quantity Value Units Method Reference Comment
Δr5.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H16O12S-2 + 9Water = H18O13S-2

By formula: H16O12S-2 + 9H2O = H18O13S-2

Quantity Value Units Method Reference Comment
Δr11.8 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr6.1 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Δr6.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H16O12Se-2 + 9Water = H18O13Se-2

By formula: H16O12Se-2 + 9H2O = H18O13Se-2

Quantity Value Units Method Reference Comment
Δr5.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H18N3O9- + 10Water = H20N3O10-

By formula: H18N3O9- + 10H2O = H20N3O10-

Quantity Value Units Method Reference Comment
Δr3.00kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change from (H2O))n-1..N3- ion. Vertical Detachment Energy: 5.65±0.08 eV; B

H18O12S2-2 + 10Water = H20O13S2-2

By formula: H18O12S2-2 + 10H2O = H20O13S2-2

Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H18O13S-2 + 10Water = H20O14S-2

By formula: H18O13S-2 + 10H2O = H20O14S-2

Quantity Value Units Method Reference Comment
Δr10.9 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr5.8 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B

H20N3O10- + 11Water = H22N3O11-

By formula: H20N3O10- + 11H2O = H22N3O11-

Quantity Value Units Method Reference Comment
Δr2.10kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.70±0.08 eV; B

H20O14S-2 + 11Water = H22O15S-2

By formula: H20O14S-2 + 11H2O = H22O15S-2

Quantity Value Units Method Reference Comment
Δr10.9 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr5.3 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B

H22N3O11- + 12Water = H24N3O12-

By formula: H22N3O11- + 12H2O = H24N3O12-

Quantity Value Units Method Reference Comment
Δr0.70kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.79±0.08 eV; B

H24N3O12- + 13Water = H26N3O13-

By formula: H24N3O12- + 13H2O = H26N3O13-

Quantity Value Units Method Reference Comment
Δr1.80kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.89±0.08 eV; B

H26N3O13- + 14Water = H28N3O14-

By formula: H26N3O13- + 14H2O = H28N3O14-

Quantity Value Units Method Reference Comment
Δr0.90kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.95±0.08 eV; B

H28N3O14- + 15Water = H30N3O15-

By formula: H28N3O14- + 15H2O = H30N3O15-

Quantity Value Units Method Reference Comment
Δr2.10kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 6.02±0.08 eV; B

H30N3O15- + 16Water = H32N3O16-

By formula: H30N3O15- + 16H2O = H32N3O16-

Quantity Value Units Method Reference Comment
Δr0.90kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 6.07±0.08 eV; B

Iodide + Water = (Iodide • Water)

By formula: I- + H2O = (I- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4 ± 0.7kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr15.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr19.3cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr16.3cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr5.5 ± 0.3kcal/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Iodide • Water) + Water = (Iodide • 2Water)

By formula: (I- • H2O) + H2O = (I- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.90 ± 0.20kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr9.50kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr9.50 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.8 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr9.8 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.3cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr19.0cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.0 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.1300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Iodide • 2Water) + Water = (Iodide • 3Water)

By formula: (I- • 2H2O) + H2O = (I- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.30 ± 0.30kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr8.5 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr9.20 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.4 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr9.4 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr21.0cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr21.3cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.00kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr3.10 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr3.3 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Iodide • 3Water) + Water = (Iodide • 4Water)

By formula: (I- • 3H2O) + H2O = (I- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.20 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.9 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 1.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr2.2 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Iodide • 4Water) + Water = (Iodide • 5Water)

By formula: (I- • 4H2O) + H2O = (I- • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.00kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B,M
Δr4.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B

(Iodide • 5Water) + Water = (Iodide • 6Water)

By formula: (I- • 5H2O) + H2O = (I- • 6H2O)

Quantity Value Units Method Reference Comment
Δr7.80kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 6Water) + Water = (Iodide • 7Water)

By formula: (I- • 6H2O) + H2O = (I- • 7H2O)

Quantity Value Units Method Reference Comment
Δr1.80kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 7Water) + Water = (Iodide • 8Water)

By formula: (I- • 7H2O) + H2O = (I- • 8H2O)

Quantity Value Units Method Reference Comment
Δr0.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 8Water) + Water = (Iodide • 9Water)

By formula: (I- • 8H2O) + H2O = (I- • 9H2O)

Quantity Value Units Method Reference Comment
Δr3.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 9Water) + Water = (Iodide • 10Water)

By formula: (I- • 9H2O) + H2O = (I- • 10H2O)

Quantity Value Units Method Reference Comment
Δr1.40kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 10Water) + Water = (Iodide • 11Water)

By formula: (I- • 10H2O) + H2O = (I- • 11H2O)

Quantity Value Units Method Reference Comment
Δr0.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 11Water) + Water = (Iodide • 12Water)

By formula: (I- • 11H2O) + H2O = (I- • 12H2O)

Quantity Value Units Method Reference Comment
Δr1.40kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 12Water) + Water = (Iodide • 13Water)

By formula: (I- • 12H2O) + H2O = (I- • 13H2O)

Quantity Value Units Method Reference Comment
Δr1.80kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 13Water) + Water = (Iodide • 14Water)

By formula: (I- • 13H2O) + H2O = (I- • 14H2O)

Quantity Value Units Method Reference Comment
Δr0.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 14Water) + Water = (Iodide • 15Water)

By formula: (I- • 14H2O) + H2O = (I- • 15H2O)

Quantity Value Units Method Reference Comment
Δr1.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • 15Water) + Water = (Iodide • 16Water)

By formula: (I- • 15H2O) + H2O = (I- • 16H2O)

Quantity Value Units Method Reference Comment
Δr1.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B

(Iodide • Sulfur dioxide) + Water = (Iodide • Water • Sulfur dioxide)

By formula: (I- • O2S) + H2O = (I- • H2O • O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr3.50 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Potassium ion (1+) • Methyl Alcohol) + Water = (Potassium ion (1+) • Water • Methyl Alcohol)

By formula: (K+ • CH4O) + H2O = (K+ • H2O • CH4O)

Quantity Value Units Method Reference Comment
Δr15.6kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • 2Methyl Alcohol) + Water = (Potassium ion (1+) • Water • 2Methyl Alcohol)

By formula: (K+ • 2CH4O) + H2O = (K+ • H2O • 2CH4O)

Quantity Value Units Method Reference Comment
Δr11.3kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • Benzene) + Water = (Potassium ion (1+) • Water • Benzene)

By formula: (K+ • C6H6) + H2O = (K+ • H2O • C6H6)

Quantity Value Units Method Reference Comment
Δr18.1kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr29.9cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M

(Potassium ion (1+) • 2Benzene) + Water = (Potassium ion (1+) • Water • 2Benzene)

By formula: (K+ • 2C6H6) + H2O = (K+ • H2O • 2C6H6)

Quantity Value Units Method Reference Comment
Δr13.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr26.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

Potassium ion (1+) + Water = (Potassium ion (1+) • Water)

By formula: K+ + H2O = (K+ • H2O)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr19.4 ± 2.5kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Δr17.9kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr19.9cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr21.3cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Δr21.6cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
0.4840.MSChupka, 1959gas phase; Knudsen cell, 840+-50K; M

(Potassium ion (1+) • Water • Methyl Alcohol) + Water = (Potassium ion (1+) • 2Water • Methyl Alcohol)

By formula: (K+ • H2O • CH4O) + H2O = (K+ • 2H2O • CH4O)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • Water • Benzene) + Water = (Potassium ion (1+) • 2Water • Benzene)

By formula: (K+ • H2O • C6H6) + H2O = (K+ • 2H2O • C6H6)

Quantity Value Units Method Reference Comment
Δr12.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) • Water • 2Benzene) + Water = (Potassium ion (1+) • 2Water • 2Benzene)

By formula: (K+ • H2O • 2C6H6) + H2O = (K+ • 2H2O • 2C6H6)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr29.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

(Potassium ion (1+) • 2Water • Benzene) + Water = (Potassium ion (1+) • 3Water • Benzene)

By formula: (K+ • 2H2O • C6H6) + H2O = (K+ • 3H2O • C6H6)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) • Water) + Water = (Potassium ion (1+) • 2Water)

By formula: (K+ • H2O) + H2O = (K+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr16.1kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr24.2cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.2300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Potassium ion (1+) • 2Water) + Water = (Potassium ion (1+) • 3Water)

By formula: (K+ • 2H2O) + H2O = (K+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr13.2kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr23.0cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr6.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Potassium ion (1+) • 3Water) + Water = (Potassium ion (1+) • 4Water)

By formula: (K+ • 3H2O) + H2O = (K+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr13. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr11.8kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr24.7cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.9300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Potassium ion (1+) • 4Water) + Water = (Potassium ion (1+) • 5Water)

By formula: (K+ • 4H2O) + H2O = (K+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr10.7kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M

(Potassium ion (1+) • 5Water) + Water = (Potassium ion (1+) • 6Water)

By formula: (K+ • 5H2O) + H2O = (K+ • 6H2O)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Lithium ion (1+) + Water = (Lithium ion (1+) • Water)

By formula: Li+ + H2O = (Li+ • H2O)

Quantity Value Units Method Reference Comment
Δr32.3 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr34.kcal/molHPMSDzidic and Kebarle, 1970gas phase; interpolated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; interpolated; M

(Lithium ion (1+) • Water) + Water = (Lithium ion (1+) • 2Water)

By formula: (Li+ • H2O) + H2O = (Li+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr27.0 ± 2.4kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr25.8kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

(Lithium ion (1+) • 2Water) + Water = (Lithium ion (1+) • 3Water)

By formula: (Li+ • 2H2O) + H2O = (Li+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr22.5 ± 1.0kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr17. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray; M
Δr20.7kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray; M
Δr24.9cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray; M

(Lithium ion (1+) • 3Water) + Water = (Lithium ion (1+) • 4Water)

By formula: (Li+ • 3H2O) + H2O = (Li+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr16.7 ± 1.2kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr16.4kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr29.9cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.8300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Lithium ion (1+) • 4Water) + Water = (Lithium ion (1+) • 5Water)

By formula: (Li+ • 4H2O) + H2O = (Li+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr13.6 ± 1.0kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr13.9kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr12. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr31.4cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Lithium ion (1+) • 5Water) + Water = (Lithium ion (1+) • 6Water)

By formula: (Li+ • 5H2O) + H2O = (Li+ • 6H2O)

Quantity Value Units Method Reference Comment
Δr14.3 ± 1.2kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr12.1kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr32.0cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

Magnesium ion (1+) + Water = (Magnesium ion (1+) • Water)

By formula: Mg+ + H2O = (Mg+ • H2O)

Quantity Value Units Method Reference Comment
Δr28.3 ± 3.0kcal/molCIDTAndersen, Muntean, et al., 2000RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
28.4 (+3.0,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Mg+ (3s1); M

(Magnesium ion (1+) • Water) + Water = (Magnesium ion (1+) • 2Water)

By formula: (Mg+ • H2O) + H2O = (Mg+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr22.3 ± 1.6kcal/molCIDTAndersen, Muntean, et al., 2000RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
22.4 (+1.6,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Mg+ (3s1); M

(Magnesium ion (1+) • 2Water) + Water = (Magnesium ion (1+) • 3Water)

By formula: (Mg+ • 2H2O) + H2O = (Mg+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr17.3 ± 2.1kcal/molCIDTAndersen, Muntean, et al., 2000RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
17.3 (+2.1,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Mg+ (3s1); M

(Magnesium ion (1+) • 3Water) + Water = (Magnesium ion (1+) • 4Water)

By formula: (Mg+ • 3H2O) + H2O = (Mg+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr11.5 ± 2.1kcal/molCIDTAndersen, Muntean, et al., 2000RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
11.5 (+2.1,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Mg+ (3s1); M

(Mg+2 • 7Water) + Water = (Mg+2 • 8Water)

By formula: (Mg+2 • 7H2O) + H2O = (Mg+2 • 8H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.4300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Mg+2 • 8Water) + Water = (Mg+2 • 9Water)

By formula: (Mg+2 • 8H2O) + H2O = (Mg+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Mg+2 • 9Water) + Water = (Mg+2 • 10Water)

By formula: (Mg+2 • 9H2O) + H2O = (Mg+2 • 10H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Mg+2 • 10Water) + Water = (Mg+2 • 11Water)

By formula: (Mg+2 • 10H2O) + H2O = (Mg+2 • 11H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M
7.4300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Mg+2 • 11Water) + Water = (Mg+2 • 12Water)

By formula: (Mg+2 • 11H2O) + H2O = (Mg+2 • 12H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M
7.2300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Mg+2 • 12Water) + Water = (Mg+2 • 13Water)

By formula: (Mg+2 • 12H2O) + H2O = (Mg+2 • 13H2O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.0293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(Mg+2 • 13Water) + Water = (Mg+2 • 14Water)

By formula: (Mg+2 • 13H2O) + H2O = (Mg+2 • 14H2O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(Mg+2 • 14Water) + Water = (Mg+2 • 15Water)

By formula: (Mg+2 • 14H2O) + H2O = (Mg+2 • 15H2O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(Mg+2 • 15Water) + Water = (Mg+2 • 16Water)

By formula: (Mg+2 • 15H2O) + H2O = (Mg+2 • 16H2O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

Manganese ion (1+) + Water = (Manganese ion (1+) • Water)

By formula: Mn+ + H2O = (Mn+ • H2O)

Quantity Value Units Method Reference Comment
Δr33. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr26.5kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
28.4 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Manganese ion (1+) • Water) + Water = (Manganese ion (1+) • 2Water)

By formula: (Mn+ • H2O) + H2O = (Mn+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
21.5 (+1.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Manganese ion (1+) • 2Water) + Water = (Manganese ion (1+) • 3Water)

By formula: (Mn+ • 2H2O) + H2O = (Mn+ • 3H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
25.8 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Manganese ion (1+) • 3Water) + Water = (Manganese ion (1+) • 4Water)

By formula: (Mn+ • 3H2O) + H2O = (Mn+ • 4H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
12.0 (+1.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Mn+2 • 8Water) + Water = (Mn+2 • 9Water)

By formula: (Mn+2 • 8H2O) + H2O = (Mn+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.3300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Mn+2 • 9Water) + Water = (Mn+2 • 10Water)

By formula: (Mn+2 • 9H2O) + H2O = (Mn+2 • 10H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Mn+2 • 10Water) + Water = (Mn+2 • 11Water)

By formula: (Mn+2 • 10H2O) + H2O = (Mn+2 • 11H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.6300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Mn+2 • 11Water) + Water = (Mn+2 • 12Water)

By formula: (Mn+2 • 11H2O) + H2O = (Mn+2 • 12H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.1300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Nitric oxide anion + Water = (Nitric oxide anion • Water)

By formula: NO- + H2O = (NO- • H2O)

Quantity Value Units Method Reference Comment
Δr18.5kcal/molPHPMSFrench, Hills, et al., 1973gas phase; M
Δr16.6kcal/molPESEaton, Arnold, et al., 1990gas phase; M
Δr22.7kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSFrench, Hills, et al., 1973gas phase; M
Δr23.9cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
12.7296.SAMSPuckett and Teague, 1971gas phase; switching reaction(NO+)NO; M

(Nitric oxide anion • Water) + Water = (Nitric oxide anion • 2Water)

By formula: (NO- • H2O) + H2O = (NO- • 2H2O)

Quantity Value Units Method Reference Comment
Δr15.70kcal/molN/AEaton, Arnold, et al., 1990gas phase; Vertical Detachment Energy: 1.860±0.020 eV; B,M
Δr16.1kcal/molPHPMSFrench, Hills, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KPHPMSFrench, Hills, et al., 1973gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.4293.HPMSMcAdams and Bone, 1972gas phase; M
8.5296.FAHoward, Rundle, et al., 1971gas phase; M
8.5296.SAMSPuckett and Teague, 1971gas phase; M

(Nitric oxide anion • 2Water) + Water = (Nitric oxide anion • 3Water)

By formula: (NO- • 2H2O) + H2O = (NO- • 3H2O)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molPESEaton, Arnold, et al., 1990gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.4308.PHPMSFrench, Hills, et al., 1973gas phase; M
5.9293.HPMSMcAdams and Bone, 1972gas phase; M
6.0296.FAHoward, Rundle, et al., 1971gas phase; M
6.0296.SAMSPuckett and Teague, 1971gas phase; M

NO2+ + Water = (NO2+ • Water)

By formula: NO2+ + H2O = (NO2+ • H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.1 (+2.3,-0.) PD/KERDGraul, Kim, et al., 1992gas phase; M

Nitrogen oxide anion + Water = (Nitrogen oxide anion • Water)

By formula: NO2- + H2O = (NO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16. ± 4.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSSieck, 1985gas phase; M
Δr20.0cal/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M
Δr23.8cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr21.cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr8.50 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Δr8.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr8.1 ± 5.8kcal/molEndoPaulson and Dale, 1982gas phase; B
Δr8.10 ± 0.20kcal/molTDAsLee, Keesee, et al., 1980gas phase; B
Δr8.00kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0296.FAFehsenfeld and Ferguson, 1974gas phase; M
8.4300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

(Nitrogen oxide anion • Water) + Water = (Nitrogen oxide anion • 2Water)

By formula: (NO2- • H2O) + H2O = (NO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.9 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr12.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr13.6kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr26.4cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr23.7cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr6.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.8 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr5.80kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr6.1 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.9296.FAFehsenfeld and Ferguson, 1974gas phase; M
5.8300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

(Nitrogen oxide anion • 2Water) + Water = (Nitrogen oxide anion • 3Water)

By formula: (NO2- • 2H2O) + H2O = (NO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.5 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr10.4 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr10.4 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr11.7kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr25.8cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr21.2cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr4.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr4.0 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.5 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Nitrogen oxide anion • 3Water) + Water = (Nitrogen oxide anion • 4Water)

By formula: (NO2- • 3H2O) + H2O = (NO2- • 4H2O)

Quantity Value Units Method Reference Comment
Δr11.6kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr29.0cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M

(NO3 anion • Nitric acid) + Water = (NO3 anion • Water • Nitric acid)

By formula: (NO3- • HNO3) + H2O = (NO3- • H2O • HNO3)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.3233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

NO3 anion + Water = (NO3 anion • Water)

By formula: NO3- + H2O = (NO3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.60 ± 0.20kcal/molN/ALee, Keesee, et al., 1980gas phase; B,M
Δr14.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.40kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr14.8kcal/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr19.2kcal/molFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr25.cal/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr21.3cal/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Δr19.1cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr7.20 ± 0.30kcal/molTDAsLee, Keesee, et al., 1980gas phase; B
Δr7.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr7.30 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Δr6.70kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.8250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
6.8296.FAFehsenfeld and Ferguson, 1974gas phase; M
7.0300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

NO3 anion + Water + Propanoic acid = C3H8NO6-

By formula: NO3- + H2O + C3H6O2 = C3H8NO6-

Quantity Value Units Method Reference Comment
Δr3.90 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

NO3 anion + Water + Butanoic acid = C4H10NO6-

By formula: NO3- + H2O + C4H8O2 = C4H10NO6-

Quantity Value Units Method Reference Comment
Δr3.80 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

(NO3 anion • Water) + Water = (NO3 anion • 2Water)

By formula: (NO3- • H2O) + H2O = (NO3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr14.3kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr30.3cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.20 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2301.HPMSBanic and Iribarne, 1985gas phase; electric fields; M
5.0296.FAFehsenfeld and Ferguson, 1974gas phase; M

(NO3 anion • 2Water) + Water = (NO3 anion • 3Water)

By formula: (NO3- • 2H2O) + H2O = (NO3- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.9 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr13.8kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr33.2cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(NO3 anion • Sulfur dioxide) + Water = (NO3 anion • Water • Sulfur dioxide)

By formula: (NO3- • O2S) + H2O = (NO3- • H2O • O2S)

Quantity Value Units Method Reference Comment
Δr4.30 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.3299.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

Azide anion + Water = H2N3O-

By formula: N3- + H2O = H2N3O-

Quantity Value Units Method Reference Comment
Δr11. ± 18.kcal/molN/AYang, Kiran, et al., 2004gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 3.25±0.03 eV; B

(Sodium ion (1+) • Carbon dioxide) + Water = (Sodium ion (1+) • Water • Carbon dioxide)

By formula: (Na+ • CO2) + H2O = (Na+ • H2O • CO2)

Quantity Value Units Method Reference Comment
Δr20.7kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Δr22.9kcal/molFAPerry, Rowe, et al., 1980gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Δr25.6cal/mol*KFAPerry, Rowe, et al., 1980gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M

Sodium ion (1+) + Water = (Sodium ion (1+) • Water)

By formula: Na+ + H2O = (Na+ • H2O)

Quantity Value Units Method Reference Comment
Δr24.0kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr21.0 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr19.6 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr22.7 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr26.5kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr22.cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
22.6 (+1.8,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Sodium ion (1+) • Water • Carbon dioxide) + Water = (Sodium ion (1+) • 2Water • Carbon dioxide)

By formula: (Na+ • H2O • CO2) + H2O = (Na+ • 2H2O • CO2)

Quantity Value Units Method Reference Comment
Δr17.4kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M

(Sodium ion (1+) • 2Water • Carbon dioxide) + Water = (Sodium ion (1+) • 3Water • Carbon dioxide)

By formula: (Na+ • 2H2O • CO2) + H2O = (Na+ • 3H2O • CO2)

Quantity Value Units Method Reference Comment
Δr12.4kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr5.5kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M

(Sodium ion (1+) • Water) + Water = (Sodium ion (1+) • 2Water)

By formula: (Na+ • H2O) + H2O = (Na+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr19. ± 2.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
19.6 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Sodium ion (1+) • 2Water) + Water = (Sodium ion (1+) • 3Water)

By formula: (Na+ • 2H2O) + H2O = (Na+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr14.9kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Δr15.8kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr16.7 ± 1.4kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr16.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M
Δr21.9cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr22.0cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.5kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.8 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Sodium ion (1+) • 3Water) + Water = (Sodium ion (1+) • 4Water)

By formula: (Na+ • 3H2O) + H2O = (Na+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr13.1 ± 0.9kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 3.cal/mol*KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr6.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
13.1 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
6.4300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Sodium ion (1+) • 4Water) + Water = (Sodium ion (1+) • 5Water)

By formula: (Na+ • 4H2O) + H2O = (Na+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr10.7kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Δr11.6kcal/molHPMSTang and Castleman, 1972gas phase; M
Δr12.3kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr24.9cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M
Δr26.5cal/mol*KHPMSTang and Castleman, 1972gas phase; M
Δr28.1cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.7293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(Sodium ion (1+) • 5Water) + Water = (Sodium ion (1+) • 6Water)

By formula: (Na+ • 5H2O) + H2O = (Na+ • 6H2O)

Quantity Value Units Method Reference Comment
Δr10.7kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

(Sodium ion (1+) • Sulfur dioxide) + Water = (Sodium ion (1+) • Water • Sulfur dioxide)

By formula: (Na+ • O2S) + H2O = (Na+ • H2O • O2S)

Quantity Value Units Method Reference Comment
Δr19.8kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M

Nickel ion (1+) + Water = (Nickel ion (1+) • Water)

By formula: Ni+ + H2O = (Ni+ • H2O)

Quantity Value Units Method Reference Comment
Δr37. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr39.7kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
43.0 (+0.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • Water) + Water = (Nickel ion (1+) • 2Water)

By formula: (Ni+ • H2O) + H2O = (Ni+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr40.6kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
40.2 (+1.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 2Water) + Water = (Nickel ion (1+) • 3Water)

By formula: (Ni+ • 2H2O) + H2O = (Ni+ • 3H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.3 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 3Water) + Water = (Nickel ion (1+) • 4Water)

By formula: (Ni+ • 3H2O) + H2O = (Ni+ • 4H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
12.4 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Ni+2 • 7Water) + Water = (Ni+2 • 8Water)

By formula: (Ni+2 • 7H2O) + H2O = (Ni+2 • 8H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

(Ni+2 • 8Water) + Water = (Ni+2 • 9Water)

By formula: (Ni+2 • 8H2O) + H2O = (Ni+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

(Ni+2 • 9Water) + Water = (Ni+2 • 10Water)

By formula: (Ni+2 • 9H2O) + H2O = (Ni+2 • 10H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.9300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

(Ni+2 • 10Water) + Water = (Ni+2 • 11Water)

By formula: (Ni+2 • 10H2O) + H2O = (Ni+2 • 11H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.5300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

(Ni+2 • 11Water) + Water = (Ni+2 • 12Water)

By formula: (Ni+2 • 11H2O) + H2O = (Ni+2 • 12H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.5300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

(Ni+2 • 12Water) + Water = (Ni+2 • 13Water)

By formula: (Ni+2 • 12H2O) + H2O = (Ni+2 • 13H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.3300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electrospray, Entropy change calculated or estimated; M

O- + Water = (O- • Water)

By formula: O- + H2O = (O- • H2O)

Quantity Value Units Method Reference Comment
Δr26.5 ± 1.8kcal/molPDisDeyerl, Clements, et al., 2001gas phase; B
Δr0.52kcal/molN/AArnold, Xu, et al., 1995gas phase; Vertical Detachment Energy: 1.45 eV. Affinity is difference between EA of O-. and HOH..O-.; B
Δr30.0kcal/molPDissRoehl, Snodgrass, et al., 1991gas phase; ΔrH<; M
Δr30.kcal/molFAFehsenfeld and Ferguson, 1974gas phase; bracketing, ΔrH<; M

Oxygen cation + Water = (Oxygen cation • Water)

By formula: O2+ + H2O = (O2+ • H2O)

Quantity Value Units Method Reference Comment
Δr16.kcal/molFAAdams and Bohme, 1970gas phase; switching reaction(O2+)SO2, ΔrH>; M

Oxygen anion + Water = (Oxygen anion • Water)

By formula: O2- + H2O = (O2- • H2O)

Quantity Value Units Method Reference Comment
Δr22.3 ± 1.5kcal/molN/ALuong, Clements, et al., 2001gas phase; Vertical Detachment Energy: 2.03±0.05 eV.; B
Δr18.4 ± 2.0kcal/molTDAsArshadi and Kebarle, 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.1cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr12.5 ± 2.0kcal/molTDAsArshadi and Kebarle, 1970gas phase; B
Δr11.7 ± 2.0kcal/molIMREParkes, 1971gas phase; B

(Oxygen anion • Water) + Water = (Oxygen anion • 2Water)

By formula: (O2- • H2O) + H2O = (O2- • 2H2O)

Quantity Value Units Method Reference Comment
Δr17.2 ± 1.0kcal/molTDAsArshadi and Kebarle, 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr9.70kcal/molTDAsArshadi and Kebarle, 1970gas phase; B
Δr8.5 ± 1.0kcal/molIMREPayzant J.D. and Kebarle, 1972gas phase; B
Δr9.7 ± 1.0kcal/molIMREPack and Phelps, 1971gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.4300.PHPMSPayzant J.D. and Kebarle, 1972gas phase; M

(Oxygen anion • 2Water) + Water = (Oxygen anion • 3Water)

By formula: (O2- • 2H2O) + H2O = (O2- • 3H2O)

Quantity Value Units Method Reference Comment
Δr15.4 ± 1.0kcal/molTDAsArshadi and Kebarle, 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr28.2cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00kcal/molTDAsArshadi and Kebarle, 1970gas phase; B
Δr6.1 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3296.FAFehsenfeld and Ferguson, 1974gas phase; M
7.1300.PHPMSPayzant J.D. and Kebarle, 1972gas phase; M

(Oxygen anion • 3Water) + Water = (Oxygen anion • 4Water)

By formula: (O2- • 3H2O) + H2O = (O2- • 4H2O)

Quantity Value Units Method Reference Comment
Δr4.4 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M
Δr3.4kcal/molPHPMSArshadi and Kebarle, 1970gas phase; M

(Oxygen anion • 4Water) + Water = (Oxygen anion • 5Water)

By formula: (O2- • 4H2O) + H2O = (O2- • 5H2O)

Quantity Value Units Method Reference Comment
Δr3.3 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B

(O2S- • Water • 3Sulfur dioxide) + Water = (O2S- • 2Water • 3Sulfur dioxide)

By formula: (O2S- • H2O • 3O2S) + H2O = (O2S- • 2H2O • 3O2S)

Quantity Value Units Method Reference Comment
Δr7.10 ± 0.40kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.80 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • Water • 4Sulfur dioxide) + Water = (O2S- • 2Water • 4Sulfur dioxide)

By formula: (O2S- • H2O • 4O2S) + H2O = (O2S- • 2H2O • 4O2S)

Quantity Value Units Method Reference Comment
Δr7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.00 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 2Water • 3Sulfur dioxide) + Water = (O2S- • 3Water • 3Sulfur dioxide)

By formula: (O2S- • 2H2O • 3O2S) + H2O = (O2S- • 3H2O • 3O2S)

Quantity Value Units Method Reference Comment
Δr6.60 ± 0.30kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.00 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 2Water • 4Sulfur dioxide) + Water = (O2S- • 3Water • 4Sulfur dioxide)

By formula: (O2S- • 2H2O • 4O2S) + H2O = (O2S- • 3H2O • 4O2S)

Quantity Value Units Method Reference Comment
Δr7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr2.60 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • Sulfur dioxide) + Water = (O2S- • Water • Sulfur dioxide)

By formula: (O2S- • O2S) + H2O = (O2S- • H2O • O2S)

Quantity Value Units Method Reference Comment
Δr8.90 ± 0.80kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr4.30 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 2Sulfur dioxide) + Water = (O2S- • Water • 2Sulfur dioxide)

By formula: (O2S- • 2O2S) + H2O = (O2S- • H2O • 2O2S)

Quantity Value Units Method Reference Comment
Δr7.40 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.60 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 3Sulfur dioxide) + Water = (O2S- • Water • 3Sulfur dioxide)

By formula: (O2S- • 3O2S) + H2O = (O2S- • H2O • 3O2S)

Quantity Value Units Method Reference Comment
Δr7.60 ± 0.30kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.40 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 4Sulfur dioxide) + Water = (O2S- • Water • 4Sulfur dioxide)

By formula: (O2S- • 4O2S) + H2O = (O2S- • H2O • 4O2S)

Quantity Value Units Method Reference Comment
Δr7.50 ± 0.40kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.30 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 5Sulfur dioxide) + Water = (O2S- • Water • 5Sulfur dioxide)

By formula: (O2S- • 5O2S) + H2O = (O2S- • H2O • 5O2S)

Quantity Value Units Method Reference Comment
Δr6.50 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.10 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O3- • Water) + Water = (O3- • 2Water)

By formula: (O3- • H2O) + H2O = (O3- • 2H2O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.2296.FAFehsenfeld and Ferguson, 1974gas phase; M

(O3- • 2Water) + Water = (O3- • 3Water)

By formula: (O3- • 2H2O) + H2O = (O3- • 3H2O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.5296.FAFehsenfeld and Ferguson, 1974gas phase; M

O3P- + Water = (O3P- • Water)

By formula: O3P- + H2O = (O3P- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.90 ± 0.30kcal/molTDAsKeesee and Castleman Jr., 1989gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M
Δr12.6kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr22.2cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
Δr20.8cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr6.3 ± 1.2kcal/molTDAsKeesee and Castleman Jr., 1989gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B
Δr6.4kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M

(O3P- • Water) + Water = (O3P- • 2Water)

By formula: (O3P- • H2O) + H2O = (O3P- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr11.4kcal/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr22.0cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr22.0cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr4.9kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M

(O3P- • 2Water) + Water = (O3P- • 3Water)

By formula: (O3P- • 2H2O) + H2O = (O3P- • 3H2O)

Quantity Value Units Method Reference Comment
Δr16.3kcal/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr36.3cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M

(O3P- • 3Water) + Water = (O3P- • 4Water)

By formula: (O3P- • 3H2O) + H2O = (O3P- • 4H2O)

Quantity Value Units Method Reference Comment
Δr11.0kcal/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M

O3S- + Water = (O3S- • Water)

By formula: O3S- + H2O = (O3S- • H2O)

Quantity Value Units Method Reference Comment
Δr5.60 ± 0.20kcal/molIMREMöhler, Reiner, et al., 1992gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.9296.FAFehsenfeld and Ferguson, 1974gas phase; M

O4S- + Water = (O4S- • Water)

By formula: O4S- + H2O = (O4S- • H2O)

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.20kcal/molIMREMöhler, Reiner, et al., 1992gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.1296.FAFehsenfeld and Ferguson, 1974gas phase; M

(O4S- • Water) + Water = (O4S- • 2Water)

By formula: (O4S- • H2O) + H2O = (O4S- • 2H2O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
1.6296.FAFehsenfeld and Ferguson, 1974gas phase; M

Sulfate + 6Water = H12O10S-2

By formula: O4S-2 + 6H2O = H12O10S-2

Quantity Value Units Method Reference Comment
Δr8.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

Sulfate + 12Water = H24O16S-2

By formula: O4S-2 + 12H2O = H24O16S-2

Quantity Value Units Method Reference Comment
Δr10.7 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr4.8 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B

Sulfate + 13Water = H26O17S-2

By formula: O4S-2 + 13H2O = H26O17S-2

Quantity Value Units Method Reference Comment
Δr5.1 ± 2.0kcal/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 14Water = H28O18S-2

By formula: O4S-2 + 14H2O = H28O18S-2

Quantity Value Units Method Reference Comment
Δr4.9 ± 2.0kcal/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 15Water = H30O19S-2

By formula: O4S-2 + 15H2O = H30O19S-2

Quantity Value Units Method Reference Comment
Δr4.5 ± 2.0kcal/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 16Water = H32O20S-2

By formula: O4S-2 + 16H2O = H32O20S-2

Quantity Value Units Method Reference Comment
Δr4.3 ± 2.0kcal/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 17Water = H34O21S-2

By formula: O4S-2 + 17H2O = H34O21S-2

Quantity Value Units Method Reference Comment
Δr4.2 ± 2.0kcal/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 18Water = H36O22S-2

By formula: O4S-2 + 18H2O = H36O22S-2

Quantity Value Units Method Reference Comment
Δr3.9 ± 2.0kcal/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 19Water = H38O23S-2

By formula: O4S-2 + 19H2O = H38O23S-2

Quantity Value Units Method Reference Comment
Δr3.7 ± 2.0kcal/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

(Sulfate • 5Water) + Water = (Sulfate • 6Water)

By formula: (O4S-2 • 5H2O) + H2O = (O4S-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.5kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(Sulfate • 6Water) + Water = (Sulfate • 7Water)

By formula: (O4S-2 • 6H2O) + H2O = (O4S-2 • 7H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.5kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(Sulfate • 7Water) + Water = (Sulfate • 8Water)

By formula: (O4S-2 • 7H2O) + H2O = (O4S-2 • 8H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.7kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(Sulfate • 8Water) + Water = (Sulfate • 9Water)

By formula: (O4S-2 • 8H2O) + H2O = (O4S-2 • 9H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.0kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(Sulfate • 9Water) + Water = (Sulfate • 10Water)

By formula: (O4S-2 • 9H2O) + H2O = (O4S-2 • 10H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.5kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(Sulfate • 10Water) + Water = (Sulfate • 11Water)

By formula: (O4S-2 • 10H2O) + H2O = (O4S-2 • 11H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr5.0kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

Lead ion (1+) + Water = (Lead ion (1+) • Water)

By formula: Pb+ + H2O = (Pb+ • H2O)

Quantity Value Units Method Reference Comment
Δr22.4kcal/molHPMSTang and Castleman, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr35.5cal/mol*KHPMSTang and Castleman, 1972gas phase; M

(Lead ion (1+) • Water) + Water = (Lead ion (1+) • 2Water)

By formula: (Pb+ • H2O) + H2O = (Pb+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molHPMSTang and Castleman, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KHPMSTang and Castleman, 1972gas phase; M

(Lead ion (1+) • 2Water) + Water = (Lead ion (1+) • 3Water)

By formula: (Pb+ • 2H2O) + H2O = (Pb+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molHPMSTang and Castleman, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KHPMSTang and Castleman, 1972gas phase; M

(Lead ion (1+) • 4Water) + Water = (Lead ion (1+) • 5Water)

By formula: (Pb+ • 4H2O) + H2O = (Pb+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molHPMSTang and Castleman, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KHPMSTang and Castleman, 1972gas phase; M

(Lead ion (1+) • 5Water) + Water = (Lead ion (1+) • 6Water)

By formula: (Pb+ • 5H2O) + H2O = (Pb+ • 6H2O)

Quantity Value Units Method Reference Comment
Δr9.6kcal/molHPMSTang and Castleman, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KHPMSTang and Castleman, 1972gas phase; M

Rubidium ion (1+) + Water = (Rubidium ion (1+) • Water)

By formula: Rb+ + H2O = (Rb+ • H2O)

Quantity Value Units Method Reference Comment
Δr15.9kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr16.0kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr20.1cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Rubidium ion (1+) • Water) + Water = (Rubidium ion (1+) • 2Water)

By formula: (Rb+ • H2O) + H2O = (Rb+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr13.6kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Rubidium ion (1+) • 2Water) + Water = (Rubidium ion (1+) • 3Water)

By formula: (Rb+ • 2H2O) + H2O = (Rb+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr13. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Rubidium ion (1+) • 3Water) + Water = (Rubidium ion (1+) • 4Water)

By formula: (Rb+ • 3H2O) + H2O = (Rb+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr11.2kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

(Rubidium ion (1+) • 4Water) + Water = (Rubidium ion (1+) • 5Water)

By formula: (Rb+ • 4H2O) + H2O = (Rb+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

Scandium ion (1+) + Water = (Scandium ion (1+) • Water)

By formula: Sc+ + H2O = (Sc+ • H2O)

Quantity Value Units Method Reference Comment
Δr31. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M

Strontium ion (1+) + Water = (Strontium ion (1+) • Water)

By formula: Sr+ + H2O = (Sr+ • H2O)

Quantity Value Units Method Reference Comment
Δr34.5kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr31.1cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M

(Strontium ion (1+) • Water) + Water = (Strontium ion (1+) • 2Water)

By formula: (Sr+ • H2O) + H2O = (Sr+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr30.5kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr28.1cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M

(Strontium ion (1+) • 2Water) + Water = (Strontium ion (1+) • 3Water)

By formula: (Sr+ • 2H2O) + H2O = (Sr+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr25.7kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M

(Strontium ion (1+) • 3Water) + Water = (Strontium ion (1+) • 4Water)

By formula: (Sr+ • 3H2O) + H2O = (Sr+ • 4H2O)

Quantity Value Units Method Reference Comment
Δr22.3kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr28.2cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M

(Strontium ion (1+) • 4Water) + Water = (Strontium ion (1+) • 5Water)

By formula: (Sr+ • 4H2O) + H2O = (Sr+ • 5H2O)

Quantity Value Units Method Reference Comment
Δr20.6kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr30.5cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M

(Strontium ion (1+) • 5Water) + Water = (Strontium ion (1+) • 6Water)

By formula: (Sr+ • 5H2O) + H2O = (Sr+ • 6H2O)

Quantity Value Units Method Reference Comment
Δr18.3kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr30.5cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M

(Strontium ion (1+) • 6Water) + Water = (Strontium ion (1+) • 7Water)

By formula: (Sr+ • 6H2O) + H2O = (Sr+ • 7H2O)

Quantity Value Units Method Reference Comment
Δr17.3kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr34.4cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M

(Strontium ion (1+) • 7Water) + Water = (Strontium ion (1+) • 8Water)

By formula: (Sr+ • 7H2O) + H2O = (Sr+ • 8H2O)

Quantity Value Units Method Reference Comment
Δr16.4kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr37.6cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M

(Sr+2 • 8Water) + Water = (Sr+2 • 9Water)

By formula: (Sr+2 • 8H2O) + H2O = (Sr+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Sr+2 • 9Water) + Water = (Sr+2 • 10Water)

By formula: (Sr+2 • 9H2O) + H2O = (Sr+2 • 10H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.3300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Sr+2 • 10Water) + Water = (Sr+2 • 11Water)

By formula: (Sr+2 • 10H2O) + H2O = (Sr+2 • 11H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(Sr+2 • 11Water) + Water = (Sr+2 • 12Water)

By formula: (Sr+2 • 11H2O) + H2O = (Sr+2 • 12H2O)

Quantity Value Units Method Reference Comment
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.9300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

Titanium ion (1+) + Water = (Titanium ion (1+) • Water)

By formula: Ti+ + H2O = (Ti+ • H2O)

Quantity Value Units Method Reference Comment
Δr38. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
36.8 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Titanium ion (1+) • Water) + Water = (Titanium ion (1+) • 2Water)

By formula: (Ti+ • H2O) + H2O = (Ti+ • 2H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
32.5 (+1.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Titanium ion (1+) • 2Water) + Water = (Titanium ion (1+) • 3Water)

By formula: (Ti+ • 2H2O) + H2O = (Ti+ • 3H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.0 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Titanium ion (1+) • 3Water) + Water = (Titanium ion (1+) • 4Water)

By formula: (Ti+ • 3H2O) + H2O = (Ti+ • 4H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
20.0 (+1.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Vanadium ion (1+) + Water = (Vanadium ion (1+) • Water)

By formula: V+ + H2O = (V+ • H2O)

Quantity Value Units Method Reference Comment
Δr36. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr35.1kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
35.1 (+8.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Vanadium ion (1+) • Water) + Water = (Vanadium ion (1+) • 2Water)

By formula: (V+ • H2O) + H2O = (V+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr35.5kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
36.1 (+2.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Vanadium ion (1+) • 2Water) + Water = (Vanadium ion (1+) • 3Water)

By formula: (V+ • 2H2O) + H2O = (V+ • 3H2O)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.3 (+1.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Vanadium ion (1+) • 3Water) + Water = (Vanadium ion (1+) • 4Water)

By formula: (V+ • 3H2O) + H2O = (V+ • 4H2O)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.2 (+1.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Zinc ion (1+) + Water = (Zinc ion (1+) • Water)

By formula: Zn+ + H2O = (Zn+ • H2O)

Quantity Value Units Method Reference Comment
Δr39. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 3657  A 3656.65 gas 3654 gas
a1 2 Bend 1595  A 1594.59 gas
b1 3 Anti str 3756  A 3755.79 gas

Source: Shimanouchi, 1972

Notes

A0~1 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Notes

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