Water

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Reaction thermochemistry data

Go To: Top, References, Notes

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

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões
B - John E. Bartmess

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 301 to 350

(Hydronium cation • 13Water) + Water = (Hydronium cation • 14Water)

By formula: (H3O+ • 13H2O) + H2O = (H3O+ • 14H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr44.35kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr28.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr166.7J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 14Water) + Water = (Hydronium cation • 15Water)

By formula: (H3O+ • 14H2O) + H2O = (H3O+ • 15H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr44.85kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr28.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr168.9J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 15Water) + Water = (Hydronium cation • 16Water)

By formula: (H3O+ • 15H2O) + H2O = (H3O+ • 16H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr45.27kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr25.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr176.4J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 16Water) + Water = (Hydronium cation • 17Water)

By formula: (H3O+ • 16H2O) + H2O = (H3O+ • 17H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr45.02kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr28.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr173.1J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 17Water) + Water = (Hydronium cation • 18Water)

By formula: (H3O+ • 17H2O) + H2O = (H3O+ • 18H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr44.98kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr26.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr170.0J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 18Water) + Water = (Hydronium cation • 19Water)

By formula: (H3O+ • 18H2O) + H2O = (H3O+ • 19H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr44.60kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr29.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr171.5J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 19Water) + Water = (Hydronium cation • 20Water)

By formula: (H3O+ • 19H2O) + H2O = (H3O+ • 20H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr44.10kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr38.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr165.8J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 20Water) + Water = (Hydronium cation • 21Water)

By formula: (H3O+ • 20H2O) + H2O = (H3O+ • 21H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.64kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr31.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr156.7J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 21Water) + Water = (Hydronium cation • 22Water)

By formula: (H3O+ • 21H2O) + H2O = (H3O+ • 22H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.18kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr25.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr165.1J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 22Water) + Water = (Hydronium cation • 23Water)

By formula: (H3O+ • 22H2O) + H2O = (H3O+ • 23H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.72kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr27.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr162.8J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 23Water) + Water = (Hydronium cation • 24Water)

By formula: (H3O+ • 23H2O) + H2O = (H3O+ • 24H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.01kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr28.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr156.7J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 24Water) + Water = (Hydronium cation • 25Water)

By formula: (H3O+ • 24H2O) + H2O = (H3O+ • 25H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr42.09kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr30.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr151.3J/mol*KMKERShi, Ford, et al., 1993gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr40.kJ/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in 86 KEE/CAS; M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in 86 KEE/CAS; M

Propane, 1,1,1-trimethoxy- + Water = Methyl propionate + 2Methyl Alcohol

By formula: C6H14O3 + H2O = C4H8O2 + 2CH4O

Quantity Value Units Method Reference Comment
Δr-26.12 ± 0.067kJ/molCmWiberg, Martin, et al., 1985liquid phase; solvent: Aqueous dioxane; ALS
Δr-51.76 ± 0.54kJ/molEqkGuthrie and Cullimore, 1980liquid phase; ALS
Δr-26.28 ± 0.071kJ/molCmWiberg, 1980liquid phase; solvent: Water; Hydrolysis; ALS

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr68.2kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr162.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M

(Hydronium cation • 10Water) + Water = (Hydronium cation • 11Water)

By formula: (H3O+ • 10H2O) + H2O = (H3O+ • 11H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.9kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr28.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr112.6J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 11Water) + Water = (Hydronium cation • 12Water)

By formula: (H3O+ • 11H2O) + H2O = (H3O+ • 12H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.1kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr29.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr140.7J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 25Water) + Water = (Hydronium cation • 26Water)

By formula: (H3O+ • 25H2O) + H2O = (H3O+ • 26H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr40.7kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr26.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr137.4J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 26Water) + Water = (Hydronium cation • 27Water)

By formula: (H3O+ • 26H2O) + H2O = (H3O+ • 27H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr39.4kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr34.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr129.4J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 9Water) + Water = (Hydronium cation • 10Water)

By formula: (H3O+ • 9H2O) + H2O = (H3O+ • 10H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr37.2kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr28.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr107.8J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(Hydronium cation • 8Water) + Water = (Hydronium cation • 9Water)

By formula: (H3O+ • 8H2O) + H2O = (H3O+ • 9H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr36.7kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr24.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr112.6J/mol*KMKERShi, Ford, et al., 1993gas phase; M

(C3H10N+ • 2Water) + Water = (C3H10N+ • 3Water)

By formula: (C3H10N+ • 2H2O) + H2O = (C3H10N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr96.7J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

Free energy of reaction

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

(C3H10N+ • Water) + Water = (C3H10N+ • 2Water)

By formula: (C3H10N+ • H2O) + H2O = (C3H10N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr48.5kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr89.1J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

Free energy of reaction

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

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

By formula: (K+ • C6H6 • 2H2O) + C6H6 = (K+ • 2C6H6 • 2H2O)

Quantity Value Units Method Reference Comment
Δr53.6kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr141.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

C10H26N2+2 + Water = (C10H26N2+2 • Water)

By formula: C10H26N2+2 + H2O = (C10H26N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr70.3kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr43.1kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

C6H18N2+2 + Water = (C6H18N2+2 • Water)

By formula: C6H18N2+2 + H2O = (C6H18N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr74.5kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr87.9J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr48.1kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

C7H22+2 + Water = (C7H22+2 • Water)

By formula: C7H22+2 + H2O = (C7H22+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr74.5kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr94.6J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr46.4kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

C8H22N2+2 + Water = (C8H22N2+2 • Water)

By formula: C8H22N2+2 + H2O = (C8H22N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr70.7kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr90.0J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr43.9kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

C9H24N2+2 + Water = (C9H24N2+2 • Water)

By formula: C9H24N2+2 + H2O = (C9H24N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr69.0kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr87.0J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr43.1kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

C12H30N2 + Water = (C12H30N2 • Water)

By formula: C12H30N2 + H2O = (C12H30N2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr65.7kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr84.1J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr41.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

C2H8N+ + Water = (C2H8N+ • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr62.8kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr38.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

C6H16N+ + Water = (C6H16N+ • Water)

By formula: C6H16N+ + H2O = (C6H16N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr63.6kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr35.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(NH4+ • 5Water) + Water = (NH4+ • 6Water)

By formula: (H4N+ • 5H2O) + H2O = (H4N+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.266.PHPMSMeot-Ner (Mautner), 1984gas phase; M

(NH4+ • 6Water) + Water = (NH4+ • 7Water)

By formula: (H4N+ • 6H2O) + H2O = (H4N+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr35.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
12.254.PHPMSMeot-Ner (Mautner), 1984gas phase; M

(Chlorine anion • Water) + Sulfur dioxide = (Chlorine anion • Sulfur dioxide • Water)

By formula: (Cl- • H2O) + O2S = (Cl- • O2S • H2O)

Quantity Value Units Method Reference Comment
Δr72.8kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr84.5J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
48.1296.HPMSFehsenfeld and Ferguson, 1974gas phase; switching reaction(Cl- H2O)H2O; M

3Water (g) + Aluminum, triethyl- (l) = AlH3O3 (amorphous) + 3Ethane (g)

By formula: 3H2O (g) + C6H15Al (l) = AlH3O3 (amorphous) + 3C2H6 (g)

Quantity Value Units Method Reference Comment
Δr-647.3 ± 6.3kJ/molRSCFowell, 1961Please also see Cox and Pilcher, 1970. Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.; MS

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

By formula: (K+ • 2C6H6) + H2O = (K+ • H2O • 2C6H6)

Quantity Value Units Method Reference Comment
Δr57.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr47.7 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr18.4 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

(Hydronium cation • 7Water) + Water = (Hydronium cation • 8Water)

By formula: (H3O+ • 7H2O) + H2O = (H3O+ • 8H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr40.9kJ/molMKERShi, Ford, et al., 1993gas phase; M
Δr21.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr140.0J/mol*KMKERShi, Ford, et al., 1993gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr45.2 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr15.9 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

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

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

Quantity Value Units Method Reference Comment
Δr51.9 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr22.6 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

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

By formula: (Na+ • H2O • CO2) + H2O = (Na+ • 2H2O • CO2)

Quantity Value Units Method Reference Comment
Δr72.8kJ/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr98.7J/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M

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

By formula: (K+ • C6H6) + H2O = (K+ • H2O • C6H6)

Quantity Value Units Method Reference Comment
Δr75.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr125.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M

C4H5S+ + Water = (C4H5S+ • Water)

By formula: C4H5S+ + H2O = (C4H5S+ • H2O)

Quantity Value Units Method Reference Comment
Δr41.8kJ/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr42.7kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr86.2J/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr83.3J/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

C8H12O4-2 + Water = (C8H12O4-2 • Water)

By formula: C8H12O4-2 + H2O = (C8H12O4-2 • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr28. ± 18.kJ/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B
Quantity Value Units Method Reference Comment
Δr23.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(ClO3- • Water) + Water = (ClO3- • 2Water)

By formula: (ClO3- • H2O) + H2O = (ClO3- • 2H2O)

Quantity Value Units Method Reference Comment
Δr49.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr19.7 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

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

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

Quantity Value Units Method Reference Comment
Δr51.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
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

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

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

Quantity Value Units Method Reference Comment
Δr49.8 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr20.5 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

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

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

Quantity Value Units Method Reference Comment
Δr40. ± 4.2kJ/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr73.2J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr18. ± 5.9kJ/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

C39H68O3P2W (solution) + Water (solution) = C39H68O4P2W (solution) + Hydrogen (g)

By formula: C39H68O3P2W (solution) + H2O (solution) = C39H68O4P2W (solution) + H2 (g)

Quantity Value Units Method Reference Comment
Δr-11.7 ± 0.4kJ/molEqSKubas, Burns, et al., 1992solvent: Tetrahydrofuran; Temperature range: 203-298 K; MS

References

Go To: Top, Reaction thermochemistry data, Notes

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

Shi, Ford, et al., 1993
Shi, Z.; Ford, V.; Wei, S.; Castleman, A.W., Water Clusters - Contributions of Binding Energy and Entropy to Stability, J. Chem. Phys., 1993, 99, 10, 8009, https://doi.org/10.1063/1.465678 . [all data]

Magnera, David, et al., 1991
Magnera, T.F.; David, D.E.; Michl, J., The First Twenty - Eight Proton Hydration Energies, Chem. Phys. Lett., 1991, 182, 3-4, 363, https://doi.org/10.1016/0009-2614(91)80230-U . [all data]

Upschulte, Evans, et al., 1986
Upschulte, B.L.; Evans, D.H.; Keesee, R.G.; Castleman, A.W., Unpublished results, referred to in Keesee and Castleman, 1986, 1986. [all data]

Wiberg, Martin, et al., 1985
Wiberg, K.B.; Martin, E.J.; Squires, R.R., Thermochemical studies of carbonyl compounds. 3. Enthalpies of hydrolysis of ortho esters, J. Org. Chem., 1985, 50, 4717-4720. [all data]

Guthrie and Cullimore, 1980
Guthrie, J.P.; Cullimore, P.A., Effect of the acyl substituent on the equilibrium constant for hydration of esters, Can. J. Chem., 1980, 58, 1281-1294. [all data]

Wiberg, 1980
Wiberg, K.B., Energies of organic compounds, Rept. DOE-E(11-1)4060 Prepared for US Dept. of Energy by Yale Univ., New Haven, CT. Avail. NTIS, 1980, 1-24. [all data]

Hiraoka, Grimsrud, et al., 1974
Hiraoka, K.; Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Hydrogen Ion in Water - Dimethyl Ether and Methanol - Dimethyl Ether Mixtures, J. Am. Chem. Soc., 1974, 96, 11, 3359, https://doi.org/10.1021/ja00818a004 . [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]

Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]

Sunner, Nishizawa, et al., 1981
Sunner, J.; Nishizawa, K.; Kebarle, P., Ion - Solvent Molecule Interactions in the Gas Phase. Potassium Ion and Benzene, J. Phys. Chem., 1981, 85, 13, 1814, https://doi.org/10.1021/j150613a011 . [all data]

Searles and Kebarle, 1969
Searles, S.K.; Kebarle, P., Hydration of the Potassium Ion in the Gas Phase: Enthalpies and Entropies of Hydration Reactions K+(H2O)n-1 + H2O = K+(H2O)n for n=1 to n=6, Can. J. Chem., 1969, 47, 14, 2619, https://doi.org/10.1139/v69-432 . [all data]

Blades, Klassen, et al., 1996
Blades, A.T.; Klassen, J.S.; Kebarle, P., Determination of Ion-Solvent Equilibria in the Gas Phase. Hydration of Diprotonated Diamines and Bis(trimethylammonium) Alkanes, J. Am. Chem. Soc., 1996, 118, 49, 12437, https://doi.org/10.1021/ja962641t . [all data]

Banic and Iribarne, 1985
Banic, C.M.; Iribarne, J.V., Equilibrium Constants for Clustering of Neutral Molecules about Gaseous Ions, J. Chem. Phys., 1985, 83, 12, 6432, https://doi.org/10.1063/1.449543 . [all data]

Upschulte, Schelling, et al., 1984
Upschulte, B.L.; Schelling, F.J.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas Phase Mixed Clusters: Water and Sulfur Dioxide with Na+ and Cl-, Chem. Phys. Lett., 1984, 111, 4-5, 389, https://doi.org/10.1016/0009-2614(84)85526-8 . [all data]

Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E., Laboratory studies of negative ion reactions with atmospheric trace constituents, J. Chem. Phys., 1974, 61, 3181. [all data]

Fowell, 1961
Fowell, P.A., Ph. D. Thesis, University of Manchester, 1961. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Smith, 1967
Smith, M.B., J. Phys. Chem., 1967, 71, 364. [all data]

Peterson, Mark, et al., 1984
Peterson, K.I.; Mark, T.D.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas - Phase Mixed Clusters: H2O/CO2 with Na+, J. Phys. Chem., 1984, 88, 13, 2880, https://doi.org/10.1021/j150657a042 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Nicol, Sunner, et al., 1988
Nicol, G.; Sunner, J.; Kebarle, P., Kinetics and Thermodynamics of Protonation Reactions: H3O+(H2O)h + B = BH+(H2O)b + (h - b +1)H2O, where B is a Nitrogen, Oxygen or Carbon Base, Int. J. Mass Spectrom. Ion Proc., 1988, 84, 1-2, 135, https://doi.org/10.1016/0168-1176(88)83032-5 . [all data]

Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]

Ding, Wang, et al., 1998
Ding, C.F.; Wang, X.B.; Wang, L.S., Photoelectron spectroscopy of doubly charged anions: Intramolecular Coulomb repulsion and solvent stabilization, J. Phys. Chem. A, 1998, 102, 45, 8633-8636, https://doi.org/10.1021/jp982698x . [all data]

Meot-Ner (Mautner) M. and Speller, 1989
Meot-Ner (Mautner) M.; Speller, C.V., Multicomponent Cluster Ions. 2. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide, J. Phys. Chem., 1989, 93, 9, 3663, https://doi.org/10.1021/j100346a058 . [all data]

Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V., Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide, J. Phys. Chem., 1989, 93, 6580. [all data]

Kubas, Burns, et al., 1992
Kubas, G.J.; Burns, C.J.; Khalsa, G.R.K.; van der Sluys, L.S.; Kiss, G.; Hoff, C.D., Organometallics, 1992, 11, 3390. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]


Notes

Go To: Top, Reaction thermochemistry data, References