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Water

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafgas-57.7978 ± 0.0096kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas-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. - 1700.1700. - 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, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafliquid-68.3150 ± 0.0096kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafliquid-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. - 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, IR Spectrum, Mass spectrum (electron ionization), 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, Kenneth Kroenlein 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
rhoc17.9mol/lN/ASato, Watanabe, et al., 1991Uncertainty assigned by TRC = 0.2 mol/l; TRC
rhoc17.91mol/lN/AMorita, Sato, et al., 1989Uncertainty assigned by TRC = 0.083 mol/l; based on analysis of obs. PVT and vapor pressure data; TRC
rhoc17.9mol/lN/AAleksandrov, 1986Uncertainty assigned by TRC = 0.2 mol/l; TRC
rhoc17.9mol/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. - 573.3.55388643.748-198.043Liu and Lindsay, 1970Coefficents calculated by NIST from author's data.
273. - 303.5.396501838.675-31.737Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
304. - 333.5.198181733.926-39.485Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
334. - 363.5.07111659.793-45.854Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
344. - 373.5.077831663.125-45.622Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
293. - 343.6.203922354.7317.559Gubkov, Fermor, et al., 1964Coefficents calculated by NIST from author's data.
255.9 - 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, IR Spectrum, Mass spectrum (electron ionization), 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 bullet Water)

By formula: Cl- + H2O = (Cl- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15. ± 5.kcal/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar19. ± 3.cal/mol*KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar9. ± 4.kcal/molAVGN/AAverage of 9 values; Individual data points

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar17.3 ± 0.9kcal/molAVGN/AAverage of 9 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar28. ± 2.cal/mol*KAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar9.4kcal/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

DeltarG° (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+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar28.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M
Deltar27.9kcal/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
Deltar28.5kcal/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
Deltar28.6kcal/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
Deltar28.7kcal/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
Deltar26.9cal/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
Deltar26.9cal/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
Deltar26.8cal/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
Deltar20.4kcal/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
Deltar20.5kcal/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 bullet Water)

By formula: H3O+ + H2O = (H3O+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar32. ± 2.kcal/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar28. ± 7.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

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

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar20. ± 1.kcal/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar22. ± 4.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

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

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13. ± 4.kcal/molAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar24. ± 5.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar5.5kcal/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

DeltarG° (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 bullet Water)

By formula: NO3- + H2O = (NO3- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar14.60 ± 0.20kcal/molN/ALee, Keesee, et al., 1980gas phase; B,M
Deltar14.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar12.40kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Deltar14.8kcal/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Deltar19.2kcal/molFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Quantity Value Units Method Reference Comment
Deltar25.0cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Deltar25.cal/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Deltar21.3cal/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Deltar19.1cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.20 ± 0.30kcal/molTDAsLee, Keesee, et al., 1980gas phase; B
Deltar7.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar7.30 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Deltar6.70kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

DeltarG° (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 bullet Water)

By formula: NO2- + H2O = (NO2- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16. ± 4.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar20.3cal/mol*KPHPMSSieck, 1985gas phase; M
Deltar20.0cal/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M
Deltar23.8cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Deltar21.cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.50 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Deltar8.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar8.1 ± 5.8kcal/molEndoPaulson and Dale, 1982gas phase; B
Deltar8.10 ± 0.20kcal/molTDAsLee, Keesee, et al., 1980gas phase; B
Deltar8.00kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

DeltarG° (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+) bullet 3Water) + Water = (Sodium ion (1+) bullet 4Water)

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

Quantity Value Units Method Reference Comment
Deltar13.1 ± 0.9kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar24. ± 3.cal/mol*KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar6.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

DeltarH° (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

DeltarG° (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 bullet 2Water) + Water = (Chlorine anion bullet 3Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12. ± 2.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar22.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar22.4cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar23.2cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.0 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

Iodide + Water = (Iodide bullet Water)

By formula: I- + H2O = (I- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.4 ± 0.7kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar15.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar19.3cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar16.3cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.5 ± 0.3kcal/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

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

(Iodide bullet Water) + Water = (Iodide bullet 2Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.90 ± 0.20kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Deltar9.50kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar9.50 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar9.8 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar9.8 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar17.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar20.3cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar19.0cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.0 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

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

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar21.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar20.5cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar20.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar6.50kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Deltar6.5 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar6.50kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar6.7kcal/molFAFehsenfeld and Ferguson, 1974gas phase; M

(CH2OH+ bullet Water) + Water = (CH2OH+ bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar21.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar19.9kcal/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
Deltar19.8kcal/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
Deltar27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar26.2cal/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
Deltar26.3cal/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
Deltar12.1kcal/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+ bullet 2Water) + Water = (CH2OH+ bullet 3Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar17.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar16.9kcal/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
Deltar17.0kcal/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
Deltar25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar26.0cal/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
Deltar26.0cal/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
Deltar9.1kcal/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 bullet 4Water) + Water = (Hydronium cation bullet 5Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12. ± 2.kcal/molAVGN/AAverage of 5 out of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar24. ± 4.cal/mol*KAVGN/AAverage of 4 out of 6 values; Individual data points

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Deltar19. ± 2.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar22.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Deltar23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Enthalpy of reaction

DeltarH° (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

DeltarG° (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+) bullet 2Water) + Water = (Sodium ion (1+) bullet 3Water)

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

Quantity Value Units Method Reference Comment
Deltar14.9kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Deltar15.8kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Deltar16.7 ± 1.4kcal/molCIDTRodgers and Armentrout, 2000RCD
Deltar16.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Deltar16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.8cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M
Deltar21.9cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Deltar22.0cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Deltar23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar9.5kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

DeltarH° (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

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

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar9.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar10.6 ± 0.3kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar10.90 ± 0.70kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Deltar11.1 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar24.8cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar25.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar3.50kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Deltar3.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar4.0 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar12.9 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Deltar12.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar13.6kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.4cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Deltar23.7cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar5.8 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar5.80kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar6.1 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

DeltarG° (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+ bullet Water) + Water = (NH4+ bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar17.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; «DELTA»rH?, Entropy change is questionable, appear out of line; M
Deltar13.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; «DELTA»rH of 12.4 kcal/mol from plot is too small; M
Deltar14.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar28.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; «DELTA»rH?, Entropy change is questionable, appear out of line; M
Deltar22.0cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; «DELTA»rH of 12.4 kcal/mol from plot is too small; M
Deltar21.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.8kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.6414.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; «DELTA»rH 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
Deltar1.2 ± 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
Deltar4.71kcal/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 bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B
Deltar15.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar16.0 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Deltar16.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar15.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.3cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar22.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.4kcal/molN/AWincel, 2008gas phase; B
Deltar9.52kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar9.3 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Deltar9.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.30 ± 0.30kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Deltar8.5 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar9.20 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar9.4 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar9.4 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar21.0cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar21.3cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.00kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Deltar3.10 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar3.3 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
Deltar-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+) bullet Water)

By formula: K+ + H2O = (K+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar16.9kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Deltar16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar19.4 ± 2.5kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Deltar17.9kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.9cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M
Deltar23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar21.3cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Deltar21.6cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

DeltarG° (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 bullet Water) + Water = (Bromine anion bullet 2Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.60 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar12.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar12.3 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar12.3 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar22.9cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.2 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar5.4 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar5.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar5.7 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

CN- + Water = (CN- bullet Water)

By formula: CN- + H2O = (CN- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar12.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Deltar14.6 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,B,M,M
Deltar13.80kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Deltar14.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar19.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar18.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Deltar19.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar19.6cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Deltar19.8cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.30 ± 0.20kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B
Deltar8.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar8.7 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Deltar7.90kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.40 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar11.5 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar11.5 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar24.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.7 ± 1.1kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar4.1 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar4.4 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar10.4 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Deltar10.4 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar11.7kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.8cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Deltar21.2cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar4.0 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar4.5 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Bromine anion + Water = (Bromine anion bullet Water)

By formula: Br- + H2O = (Br- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar11.70 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar12.60kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Deltar12.7kcal/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar14.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar18.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Deltar19.8cal/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
Deltar7.30 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar7.0 ± 2.8kcal/molTDAsBurdett and Hayhurst, 1982gas phase; B
Deltar7.0 ± 2.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

CH2N+ + Water = (CH2N+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar27.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar29.6kcal/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
Deltar24.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar28.8cal/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

DeltarG° (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 bullet Water)

By formula: HO- + H2O = (HO- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar27.0 ± 0.9kcal/molAVGN/AAverage of 3 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar28.1cal/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
Deltar21.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Deltar20.8cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Deltar19.1cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

HO- + Water = (HO- bullet Water)

By formula: HO- + H2O = (HO- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar28. ± 7.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar19.2 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B
Deltar20.1 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Deltar20.0 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Deltar18.60kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar19.20 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M
Deltar16.6 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar16.6 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar18.7cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar12.5 ± 1.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Deltar11.0 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar11.00kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.8 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar11.8kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar5.84kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar5.9kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.00 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar6.2 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar10.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar26.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.10 ± 0.70kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar2.90kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar3.3 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

O3P- + Water = (O3P- bullet Water)

By formula: O3P- + H2O = (O3P- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.90 ± 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
Deltar12.6kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.8cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Deltar22.2cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
Deltar20.8cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Deltar6.3 ± 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
Deltar6.4kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M

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

By formula: Na+ + H2O = (Na+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar24.0kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Deltar21.0 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar19.6 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar22.7 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Deltar26.5kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M
Quantity Value Units Method Reference Comment
Deltar21.5cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Deltar22.cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M

Enthalpy of reaction

DeltarH° (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

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

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

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

Quantity Value Units Method Reference Comment
Deltar13.0kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Deltar14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar13.2kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Deltar23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar23.0cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

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

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar12.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Deltar12.9kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar20.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.00kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar8.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B
Deltar6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar8.1kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar2.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

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

By formula: Rb+ + H2O = (Rb+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar15.9kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Deltar16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar16.0kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Deltar21.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Deltar23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar20.1cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

Free energy of reaction

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

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar14.3kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.3cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar5.20 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

DeltarG° (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+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar14.0kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Deltar13.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Deltar16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar23.3cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Deltar22.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Deltar32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M

Free energy of reaction

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

C2H2F3O2+ + Water = (C2H2F3O2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar28.3kcal/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
Deltar23.3cal/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

DeltarG° (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+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Deltar10.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Deltar16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Deltar19.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Deltar32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M

Free energy of reaction

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

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.30 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar13.7 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar13.7 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar20.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.4 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar7.6 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar7.60kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar17.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Deltar18.kcal/molCIDHierl and Paulson, 1984gas phase; M
Deltar17.9kcal/molHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Deltar16.4kcal/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Deltar23.kcal/molCIDDePaz, Giardini, et al., 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Deltar21.4cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Deltar21.2cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Deltar19.3cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

C2H4F3O+ + Water = (C2H4F3O+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar30.5kcal/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
Deltar23.8cal/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

DeltarG° (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

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
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NIST MS number 7

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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:   C2nu     Symmetry Number sigma = 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, IR Spectrum, Mass spectrum (electron ionization), 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.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Sato, Watanabe, et al., 1991
Sato, H.; Watanabe, K.; Levelt Sengers, J.M.H.; Gallagher, J.S.; Hill, P.G.; Straub, J.; Wagner, W., Sixteen Thousand Evaluated Experimental Thermodynamic Property Data for Water and Steam, J. Phys. Chem. Ref. Data, 1991, 20, 1023. [all data]

Brunner, 1990
Brunner, E., Fluid Mixtures at High Pressures. 9. Phase Separation and Critical Phenomena in 23 (n-Alkane + Water) Mixtures., J. Chem. Thermodyn., 1990, 22, 335. [all data]

Morita, Sato, et al., 1989
Morita, T.; Sato, H.; Uematsu, M.; Watanabe, K., PVT Properties and Vapor-Pressures of Ordinary Water Substance in the Critical Region, Physica A: (Amsterdam), 1989, 156, 436. [all data]

Aleksandrov, 1986
Aleksandrov, A.A., Critical Parameters of Ordinary and Heavy Water, Teploenergetika, 1986, No. 1, 74. [all data]

Sifner, 1985
Sifner, O., Recommended Values of Critical Parameters of Ordinary and Heavy Water, Chem. Listy, 1985, 79, 199. [all data]

Liu and Lindsay, 1970
Liu, C.-T.; Lindsay, W.T., Jr., Vapor Pressure of D2O from 106 to 300 ºC, J. Chem. Eng. Data, 1970, 15, 4, 510-513, https://doi.org/10.1021/je60047a015 . [all data]

Bridgeman and Aldrich, 1964
Bridgeman, O.C.; Aldrich, E.W., Vapor Pressure Tables for Water, J. Heat Transfer, 1964, 86, 2, 279-286, https://doi.org/10.1115/1.3687121 . [all data]

Gubkov, Fermor, et al., 1964
Gubkov, A.N.; Fermor, N.A.; Smirnov, N.I., Vapor Pressure of Mono-Poly Systems, Zh. Prikl. Khim. (Leningrad), 1964, 37, 2204-2210. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Bierbaum, Golde, et al., 1976
Bierbaum, V.M.; Golde, M.F.; Kaufman, F., Flowing Afterglow Studies of Hydronium Ion Clustering Including Diffusion Effects, J. Chem. Phys., 1976, 65, 7, 2715, https://doi.org/10.1063/1.433415 . [all data]

Arifov, Pozharov, et al., 1971
Arifov, U.A.; Pozharov, S.L.; Chernov, I.G., High Energy Chem., 1971, 5, 1. [all data]

Puckett and Teague, 1971
Puckett, L.J.; Teague, A.W., Production of H3O+.nH2O from NO+ Precursor in NO - H2O Gas Mixtures, J. Chem. Phys., 1971, 54, 6, 2564, https://doi.org/10.1063/1.1675213 . [all data]

Good, Durden, et al., 1970
Good, A.; Durden, D.A.; Kebarle, P., Ion-Molecule Reactions in Pure Nitrogen and Nitrogen Containing Traces of Water at Total Pressures 0.5 - 4 torr. Kinetics of Clustering Reactions Forming H+(H2O)n, J. Chem. Phys., 1970, 52, 1, 212, https://doi.org/10.1063/1.1672667 . [all data]

Good, Durden, et al., 1970, 2
Good, A.; Durden, D.A.; Kebarle, P., Mechanism and Rate Constants of Ion-Molecule Reactions Leading to Formation of H+(H2O)n in Moist Oxygen and Air, J. Chem. Phys., 1970, 52, 1, 222, https://doi.org/10.1063/1.1672668 . [all data]

Meot-Ner (Mautner), 1984
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Notes

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