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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-241.826 ± 0.040kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas-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, 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-285.830 ± 0.040kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafliquid-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, 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
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 (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, 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
Deltar60. ± 20.kJ/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar81. ± 10.J/mol*KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar40. ± 20.kJ/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
Deltar73. ± 4.kJ/molAVGN/AAverage of 9 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar118. ± 8.J/mol*KAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar39.kJ/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

DeltarG° (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+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar119.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M
Deltar117.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
Deltar119.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
Deltar120.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
Deltar120.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
Deltar113.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
Deltar113.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
Deltar112.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
Deltar85.4kJ/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
Deltar85.8kJ/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 bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar136. ± 9.kJ/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar120. ± 30.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
34.300.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
Deltar84. ± 5.kJ/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar94. ± 20.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
36.300.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
Deltar56. ± 20.kJ/molAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar100. ± 20.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar23.kJ/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

DeltarG° (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 bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar61.09 ± 0.84kJ/molN/ALee, Keesee, et al., 1980gas phase; B,M
Deltar59.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar51.88kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Deltar61.9kJ/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Deltar80.3kJ/molFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Quantity Value Units Method Reference Comment
Deltar105.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Deltar100.J/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Deltar89.1J/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Deltar79.9J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.1 ± 1.3kJ/molTDAsLee, Keesee, et al., 1980gas phase; B
Deltar29.7 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar30.5 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
Deltar28.0kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

DeltarG° (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 bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar65. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar84.9J/mol*KPHPMSSieck, 1985gas phase; M
Deltar83.7J/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M
Deltar99.6J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Deltar88.J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar35.6 ± 0.84kJ/molTDAsSieck, 1985gas phase; B
Deltar35.6 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar34. ± 24.kJ/molEndoPaulson and Dale, 1982gas phase; B
Deltar33.9 ± 0.84kJ/molTDAsLee, Keesee, et al., 1980gas phase; B
Deltar33.5kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

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

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

Quantity Value Units Method Reference Comment
Deltar55. ± 4.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar99. ± 10.J/mol*KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar26.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

DeltarH° (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

DeltarG° (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 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
Deltar48. ± 7.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar93.3J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar93.7J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar97.1J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar21. ± 2.kJ/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
Deltar43. ± 3.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar64.0J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar80.8J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar68.2J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar23. ± 1.kJ/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
22.300.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
Deltar41.4 ± 0.84kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
Deltar39.7kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar39.7 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar41. ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar41. ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar73.6J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar84.9J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar79.5J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar17. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.300.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
Deltar53. ± 5.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar89.5J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar85.8J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar87.0J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar28. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar27.2kJ/molTDAsKeesee and Castleman, 1980gas phase; B
Deltar27. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar27.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar28.kJ/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
Deltar90.0kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar83.3kJ/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
Deltar82.8kJ/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
Deltar113.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar110.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
Deltar110.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
Deltar50.6kJ/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+ 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
Deltar73.6kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar70.7kJ/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
Deltar71.1kJ/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
Deltar107.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar109.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
Deltar109.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
Deltar38.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 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
Deltar50. ± 8.kJ/molAVGN/AAverage of 5 out of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar102. ± 20.J/mol*KAVGN/AAverage of 4 out of 6 values; Individual data points

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
19.293.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
Deltar79. ± 8.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar92.9J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Deltar96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Enthalpy of reaction

DeltarH° (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

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

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

Quantity Value Units Method Reference Comment
Deltar62.3kJ/molHPMSTang, Lian, et al., 1976gas phase; M
Deltar66.1kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
Deltar69.9 ± 5.9kJ/molCIDTRodgers and Armentrout, 2000RCD
Deltar67.4kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Deltar70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar87.0J/mol*KHPMSTang, Lian, et al., 1976gas phase; M
Deltar91.6J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Deltar92.0J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Deltar96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar40.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

DeltarH° (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

DeltarG° (kJ/mol) T (K) Method Reference Comment
39.300.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
Deltar44.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar40.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar44. ± 1.kJ/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar45.6 ± 2.9kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
Deltar46.4 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar95.0J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar104.J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar108.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar16. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar14.6kJ/molTDAsKeesee and Castleman, 1980gas phase; B
Deltar14.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar17. ± 8.4kJ/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
Deltar54.4 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar54.0 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Deltar54.0 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar56.9kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Deltar99.2J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar24. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar24.3kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar26. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

DeltarG° (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+ 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
Deltar72.8kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; «DELTA»rH?, Entropy change is questionable, appear out of line; M
Deltar57.3kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; «DELTA»rH of 51.9 kJ/mol from plot is too small; M
Deltar61.5kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; «DELTA»rH?, Entropy change is questionable, appear out of line; M
Deltar92.0J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; «DELTA»rH of 51.9 kJ/mol from plot is too small; M
Deltar91.6J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar37.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
19.414.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; «DELTA»rH 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
Deltar5.0 ± 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
Deltar19.7kJ/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 bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar68.6 ± 3.3kJ/molTDAsWincel, 2008gas phase; B
Deltar66.5 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar66.9 ± 4.2kJ/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Deltar68.6 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar66.1kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar84.9J/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar94.1J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Deltar38. ± 5.9kJ/molN/AWincel, 2008gas phase; B
Deltar39.8kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar39. ± 6.7kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Deltar39.3 ± 1.3kJ/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
Deltar38.9 ± 1.3kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
Deltar36. ± 9.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar38.5 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar39. ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar39. ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar85.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar87.9J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Deltar89.1J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar12.6kJ/molTDAsKeesee and Castleman, 1980gas phase; B
Deltar13.0 ± 3.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar14. ± 8.4kJ/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-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+) bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar70.7kJ/molHPMSDavidson and Kebarle, 1976gas phase; M
Deltar70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar81. ± 10.kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Deltar74.9kJ/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Deltar83.3J/mol*KHPMSDavidson and Kebarle, 1976gas phase; M
Deltar96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar89.1J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Deltar90.4J/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

DeltarG° (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 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
Deltar48.5 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar51.04kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar51.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar51.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar75.3J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar95.8J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar26. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar23. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar22.6kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar24. ± 8.4kJ/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
Deltar53.1 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Deltar61.1 ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B,B,M,M
Deltar57.74kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Deltar61.1kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar82.0J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar75.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Deltar82.0J/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar82.0J/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Deltar82.8J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.5 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B
Deltar36. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
Deltar36. ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B
Deltar33.1kJ/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
Deltar47.7 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar28.9kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar48.1 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar48.1 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar94.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar104.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar20. ± 4.6kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar17. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar17.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar18. ± 8.4kJ/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
Deltar48.1 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar43.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Deltar43.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar49.0kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar108.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Deltar88.7J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar17. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar17.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar19. ± 8.4kJ/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
Deltar53.14kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar49.0 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar52.72kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Deltar53.1kJ/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar61.5J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar77.0J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Deltar82.8J/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
Deltar30.5 ± 3.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar29. ± 12.kJ/molTDAsBurdett and Hayhurst, 1982gas phase; B
Deltar29. ± 8.4kJ/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
Deltar115.kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar124.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
Deltar101.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar120.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

DeltarG° (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 bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar113. ± 4.kJ/molAVGN/AAverage of 3 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar118.J/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
Deltar91.2J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Deltar87.0J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Deltar79.9J/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
Deltar120. ± 30.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar80.3 ± 4.2kJ/molTDAsPaul and Kebarle, 1990gas phase; B
Deltar84.1 ± 6.7kJ/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Deltar83.7 ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Deltar77.82kJ/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
Deltar80.3 ± 2.1kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M
Deltar69.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar69.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar92.9J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar78.2J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar52.3 ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Deltar46.0 ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar46.02kJ/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
Deltar49.4 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar51.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar49.4kJ/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar24.4kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar21.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar25.kJ/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
Deltar46.02 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar26. ± 9.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar45.6 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar112.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar13.0 ± 2.9kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar12.1kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Deltar14. ± 8.4kJ/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
Deltar54.0 ± 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
Deltar52.7kJ/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar87.0J/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Deltar92.9J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
Deltar87.0J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Deltar26. ± 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
Deltar27.kJ/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
Deltar100.kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
Deltar87.9 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar82.0 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar95.0 ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD
Deltar111.kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M
Quantity Value Units Method Reference Comment
Deltar90.0J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Deltar92.J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M

Enthalpy of reaction

DeltarH° (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

DeltarG° (kJ/mol) T (K) Method Reference Comment
65.7298.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
Deltar54.4kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Deltar60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar55.2kJ/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Deltar94.1J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Deltar96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar96.2J/mol*KHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
28.300.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
Deltar54.0 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar57.7 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar53.6kJ/molPHPMSMeot-ner, 1988gas phase; M
Deltar54.0kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar79.9J/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar85.8J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.3kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar28.5 ± 1.3kJ/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
Deltar34. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B
Deltar28.9kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Deltar34.kJ/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar8.8 ± 4.2kJ/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
Deltar66.5kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
Deltar70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar66.9kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Deltar88.7J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Deltar96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Deltar84.1J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
39.300.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
Deltar51.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar59.8kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar127.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar21.8 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

DeltarG° (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+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar58.6kJ/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Deltar57.7kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Deltar67.kJ/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar97.5J/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Deltar92.0J/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Deltar130.J/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
21.344.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
Deltar118.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
Deltar97.5J/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

DeltarG° (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+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.5kJ/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Deltar42.7kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Deltar67.kJ/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Deltar82.4J/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Deltar130.J/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
18.382.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
Deltar64.0 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar57.3 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar57.3 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar95.8J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar85.4J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Deltar35. ± 5.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar32. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar31.8kJ/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
Deltar73.6kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Deltar75.kJ/molCIDHierl and Paulson, 1984gas phase; M
Deltar74.9kJ/molHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Deltar68.6kJ/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Deltar96.kJ/molCIDDePaz, Giardini, et al., 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Deltar89.5J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Deltar88.7J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Deltar80.8J/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
Deltar128.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
Deltar99.6J/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

DeltarG° (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

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
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, 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
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration, J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016 . [all data]

Davidson, Sunner J., et al., 1979
Davidson, W.R.; Sunner J.; Kebarle, P., Hydrogen Bonding of Water to Onium Ions. Hydration of Substituted Pyridinium Ions and Related Systems, J. Am. Chem. Soc., 1979, 101, 7, 1675, https://doi.org/10.1021/ja00501a005 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Larson and McMahon, 1982
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Notes

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