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, 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
Δfgas-241.826 ± 0.040kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-241.83kJ/molReviewChase, 1998Data last reviewed in March, 1979
Quantity Value Units Method Reference Comment
gas,1 bar188.835 ± 0.010J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar188.84J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 500. - 1700.1700. - 6000.
A 30.0920041.96426
B 6.8325148.622053
C 6.793435-1.499780
D -2.5344800.098119
E 0.082139-11.15764
F -250.8810-272.1797
G 223.3967219.7809
H -241.8264-241.8264
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, 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
Δfliquid-285.830 ± 0.040kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfliquid-285.83kJ/molReviewChase, 1998Data last reviewed in March, 1979
Quantity Value Units Method Reference Comment
liquid69.95 ± 0.03J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
liquid,1 bar69.95J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 500.
A -203.6060
B 1523.290
C -3196.413
D 2474.455
E 3.855326
F -256.5478
G -488.7163
H -285.8304
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, 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, 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
Ptriple0.0061barN/ASato, Watanabe, et al., 1991Uncertainty assigned by TRC = 1.×10-7 bar; TRC
Quantity Value Units Method Reference Comment
Tc647. ± 2.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc220.64barN/ASato, Watanabe, et al., 1991Uncertainty assigned by TRC = 0.05 bar; TRC
Pc220.60barN/ABrunner, 1990Uncertainty assigned by TRC = 0.12 bar; TRC
Pc220.46barN/AMorita, Sato, et al., 1989Uncertainty assigned by TRC = 0.25 bar; based on analysis of their obs. PVT and vapor pressure data some other data from literature; TRC
Pc220.64barN/AAleksandrov, 1986Uncertainty assigned by TRC = 0.30 bar; TRC
Pc220.64barN/ASifner, 1985Uncertainty assigned by TRC = 0.0001 bar; 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 (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
379. - 573.3.55959643.748-198.043Liu and Lindsay, 1970Coefficents calculated by NIST from author's data.
273. - 303.5.402211838.675-31.737Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
304. - 333.5.203891733.926-39.485Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
334. - 363.5.07681659.793-45.854Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
344. - 373.5.083541663.125-45.622Bridgeman and Aldrich, 1964Coefficents calculated by NIST from author's data.
293. - 343.6.209632354.7317.559Gubkov, Fermor, et al., 1964Coefficents calculated by NIST from author's data.
255.9 - 373.4.65431435.264-64.848Stull, 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, 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 • Water)

By formula: Cl- + H2O = (Cl- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr60. ± 20.kJ/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δr81. ± 10.J/mol*KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr40. ± 20.kJ/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
Δr73. ± 4.kJ/molAVGN/AAverage of 9 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Δr118. ± 8.J/mol*KAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr39.kJ/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.300.HPMSArifov, Pozharov, et al., 1971gas phase; M
38.296.SAMSPuckett and Teague, 1971gas phase; M
35.300.PHPMSGood, Durden, et al., 1970gas phase; M
35.307.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
Δr119.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M
Δr117.kJ/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
Δr119.kJ/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
Δr120.kJ/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
Δr120.kJ/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
Δr113.J/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
Δr113.J/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
Δr112.J/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
Δr85.4kJ/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
Δr85.8kJ/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
Δr136. ± 9.kJ/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δr120. ± 30.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.300.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
Δr84. ± 5.kJ/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δr94. ± 20.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
36.300.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
Δr56. ± 20.kJ/molAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr100. ± 20.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr23.kJ/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
24.293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
23.296.SAMSPuckett and Teague, 1971gas phase; M
21.300.PHPMSGood, Durden, et al., 1970gas phase; M
21.307.PHPMSGood, Durden, et al., 1970, 2gas phase; M
29.300.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
Δr61.09 ± 0.84kJ/molN/ALee, Keesee, et al., 1980gas phase; B,M
Δr59.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr51.88kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr61.9kJ/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr80.3kJ/molFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Quantity Value Units Method Reference Comment
Δr105.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr100.J/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr89.1J/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Δr79.9J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr30.1 ± 1.3kJ/molTDAsLee, Keesee, et al., 1980gas phase; B
Δr29.7 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr30.5 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
Δr28.0kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
37.250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
28.296.FAFehsenfeld and Ferguson, 1974gas phase; M
29.300.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
Δr65. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr84.9J/mol*KPHPMSSieck, 1985gas phase; M
Δr83.7J/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M
Δr99.6J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr88.J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr35.6 ± 0.84kJ/molTDAsSieck, 1985gas phase; B
Δr35.6 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr34. ± 24.kJ/molEndoPaulson and Dale, 1982gas phase; B
Δr33.9 ± 0.84kJ/molTDAsLee, Keesee, et al., 1980gas phase; B
Δr33.5kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.296.FAFehsenfeld and Ferguson, 1974gas phase; M
35.300.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
Δr55. ± 4.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr99. ± 10.J/mol*KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr26.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
54.8 (+5.9,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
27.300.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
Δr48. ± 7.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr93.3J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr93.7J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr97.1J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr21. ± 2.kJ/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
Δr43. ± 3.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr64.0J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr80.8J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr68.2J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr23. ± 1.kJ/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.300.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
Δr41.4 ± 0.84kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr39.7kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr39.7 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr41. ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr41. ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr73.6J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr84.9J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr79.5J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr17. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
17.300.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
Δr53. ± 5.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr85.8J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr87.0J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr28. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr27.2kJ/molTDAsKeesee and Castleman, 1980gas phase; B
Δr27. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr27.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr28.kJ/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
Δr90.0kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr83.3kJ/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
Δr82.8kJ/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
Δr113.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr110.J/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
Δr110.J/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
Δr50.6kJ/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
Δr73.6kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr70.7kJ/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
Δr71.1kJ/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
Δr107.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr109.J/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
Δr109.J/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
Δr38.kJ/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
Δr50. ± 8.kJ/molAVGN/AAverage of 5 out of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr102. ± 20.J/mol*KAVGN/AAverage of 4 out of 6 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
19.293.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
Δr79. ± 8.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr92.9J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
82.0 (+5.9,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
41.8300.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
Δr62.3kJ/molHPMSTang, Lian, et al., 1976gas phase; M
Δr66.1kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr69.9 ± 5.9kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr67.4kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr87.0J/mol*KHPMSTang, Lian, et al., 1976gas phase; M
Δr91.6J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr92.0J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr40.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
70.3 (+5.9,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
39.300.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
Δr44.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr40.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr44. ± 1.kJ/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr45.6 ± 2.9kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr46.4 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr95.0J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr104.J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr108.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr16. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr14.6kJ/molTDAsKeesee and Castleman, 1980gas phase; B
Δr14.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr17. ± 8.4kJ/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
Δr54.4 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr54.0 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr54.0 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr56.9kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr99.2J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr25.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr24. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr24.3kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr26. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
25.296.FAFehsenfeld and Ferguson, 1974gas phase; M
24.300.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
Δr72.8kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
Δr57.3kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 51.9 kJ/mol from plot is too small; M
Δr61.5kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
Δr92.0J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 51.9 kJ/mol from plot is too small; M
Δr91.6J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr37.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
19.414.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 51.9 kJ/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
Δr5.0 ± 0.4kJ/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
Δr19.7kJ/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
Δr68.6 ± 3.3kJ/molTDAsWincel, 2008gas phase; B
Δr66.5 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr66.9 ± 4.2kJ/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Δr68.6 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr66.1kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr84.9J/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr94.1J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Δr38. ± 5.9kJ/molN/AWincel, 2008gas phase; B
Δr39.8kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr39. ± 6.7kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Δr39.3 ± 1.3kJ/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
Δr38.9 ± 1.3kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr36. ± 9.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr38.5 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr39. ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr39. ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr87.9J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr89.1J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr12.6kJ/molTDAsKeesee and Castleman, 1980gas phase; B
Δr13.0 ± 3.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr14. ± 8.4kJ/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-118.4 ± 3.8kJ/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/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 -490.8 ± 5.9 kJ/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 -410.0 ± 4.2 kJ/mol and -413.8 kJ/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
Δr70.7kJ/molHPMSDavidson and Kebarle, 1976gas phase; M
Δr70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr81. ± 10.kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Δr74.9kJ/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr83.3J/mol*KHPMSDavidson and Kebarle, 1976gas phase; M
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr89.1J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Δr90.4J/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
2.840.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
Δr48.5 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr51.04kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr51.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr51.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr75.3J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr95.8J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr26. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr23. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr22.6kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr24. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

CN- + Water = (CN- • Water)

By formula: CN- + H2O = (CN- • H2O)

Quantity Value Units Method Reference Comment
Δr53.1 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Δr61.1 ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B,B,M,M
Δr57.74kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr61.1kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr82.0J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr75.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Δr82.0J/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr82.0J/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Δr82.8J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr30.5 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B
Δr36. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
Δr36. ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B
Δr33.1kJ/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
Δr47.7 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr28.9kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr48.1 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr48.1 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr104.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr20. ± 4.6kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr17. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr17.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr18. ± 8.4kJ/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
Δr48.1 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr43.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr43.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr49.0kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr108.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr88.7J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr18.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr17. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr17.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr19. ± 8.4kJ/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
Δr53.14kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr49.0 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr52.72kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Δr53.1kJ/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr61.5J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr77.0J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Δr82.8J/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
Δr30.5 ± 3.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr29. ± 12.kJ/molTDAsBurdett and Hayhurst, 1982gas phase; B
Δr29. ± 8.4kJ/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
Δr115.kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr124.kJ/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
Δr101.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr120.J/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° (kJ/mol) T (K) Method Reference Comment
87.9300.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
Δr113. ± 4.kJ/molAVGN/AAverage of 3 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr118.J/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
Δr91.2J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr87.0J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr79.9J/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

HO- + Water = (HO- • Water)

By formula: HO- + H2O = (HO- • H2O)

Quantity Value Units Method Reference Comment
Δr120. ± 30.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr80.3 ± 4.2kJ/molTDAsPaul and Kebarle, 1990gas phase; B
Δr84.1 ± 6.7kJ/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Δr83.7 ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Δr77.82kJ/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
Δr80.3 ± 2.1kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M
Δr69.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr69.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr92.9J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr78.2J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr52.3 ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Δr46.0 ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr46.02kJ/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
Δr49.4 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr51.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr49.4kJ/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr24.4kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr21.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr25.kJ/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
Δr46.02 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr26. ± 9.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr45.6 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr112.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr13.0 ± 2.9kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr12.1kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr14. ± 8.4kJ/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
Δr54.0 ± 1.3kJ/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
Δr52.7kJ/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr87.0J/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr92.9J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
Δr87.0J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr26. ± 5.0kJ/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
Δr27.kJ/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
Δr100.kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr87.9 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr82.0 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr95.0 ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr111.kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M
Quantity Value Units Method Reference Comment
Δr90.0J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr92.J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
94.6 (+7.5,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
65.7298.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
Δr54.4kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr55.2kJ/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr96.2J/mol*KHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr26.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.300.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
Δr54.0 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr57.7 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr53.6kJ/molPHPMSMeot-ner, 1988gas phase; M
Δr54.0kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr79.9J/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr85.8J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr29.3kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr28.5 ± 1.3kJ/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
Δr34. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B
Δr28.9kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr34.kJ/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.8 ± 4.2kJ/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
Δr66.5kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr66.9kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr84.1J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
39.300.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
Δr51.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr59.8kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr127.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr21.8 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.301.HPMSBanic and Iribarne, 1985gas phase; electric fields; M
21.296.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
Δr58.6kJ/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr57.7kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr67.kJ/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr97.5J/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr92.0J/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr130.J/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
21.344.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
Δr118.kJ/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
Δr97.5J/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° (kJ/mol) T (K) Method Reference Comment
89.5309.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
Δr43.5kJ/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr42.7kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr67.kJ/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr82.4J/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr130.J/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.382.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
Δr64.0 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr57.3 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr57.3 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr85.4J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr35. ± 5.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr32. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr31.8kJ/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
Δr73.6kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr75.kJ/molCIDHierl and Paulson, 1984gas phase; M
Δr74.9kJ/molHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr68.6kJ/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Δr96.kJ/molCIDDePaz, Giardini, et al., 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr88.7J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr80.8J/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
Δr128.kJ/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
Δr99.6J/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° (kJ/mol) T (K) Method Reference Comment
97.9309.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, 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 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)691.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity660.0kJ/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
Δr1633.141 ± 0.042kJ/molD-EASmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
Δr1622.1kJ/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7; B
Quantity Value Units Method Reference Comment
Δr1605.57 ± 0.25kJ/molH-TSSmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
Δr1594.5kJ/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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, Gas phase ion energetics 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
on behalf of the United States of America. All rights reserved.
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, Gas phase ion energetics 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:   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, 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
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Notes

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