Water

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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
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 901 to 950

(C8H4O4-2 • 3Water) + Water = (C8H4O4-2 • 4Water)

By formula: (C8H4O4-2 • 3H2O) + H2O = (C8H4O4-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°31.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H4O4-2 • 4Water) + Water = (C8H4O4-2 • 5Water)

By formula: (C8H4O4-2 • 4H2O) + H2O = (C8H4O4-2 • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°26.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C8H4O4-2 • 5Water) + Water = (C8H4O4-2 • 6Water)

By formula: (C8H4O4-2 • 5H2O) + H2O = (C8H4O4-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°25.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C9H14O4-2 • 2Water) + Water = (C9H14O4-2 • 3Water)

By formula: (C9H14O4-2 • 2H2O) + H2O = (C9H14O4-2 • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°32.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C9H14O4-2 • 3Water) + Water = (C9H14O4-2 • 4Water)

By formula: (C9H14O4-2 • 3H2O) + H2O = (C9H14O4-2 • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°29.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C9H14O4-2 • 4Water) + Water = (C9H14O4-2 • 5Water)

By formula: (C9H14O4-2 • 4H2O) + H2O = (C9H14O4-2 • 5H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°25.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C9H14O4-2 • 5Water) + Water = (C9H14O4-2 • 6Water)

By formula: (C9H14O4-2 • 5H2O) + H2O = (C9H14O4-2 • 6H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°22.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(H2O3P- • 2Water) + Water = (H2O3P- • 3Water)

By formula: (H2O3P- • 2H2O) + H2O = (H2O3P- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°22.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(H2O4P- • 2Water) + Water = (H2O4P- • 3Water)

By formula: (H2O4P- • 2H2O) + H2O = (H2O4P- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°20.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

Sulfate + 13Water = H26O17S-2

By formula: O4S-2 + 13H2O = H26O17S-2

Quantity Value Units Method Reference Comment
ΔrG°21. ± 8.4kJ/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 14Water = H28O18S-2

By formula: O4S-2 + 14H2O = H28O18S-2

Quantity Value Units Method Reference Comment
ΔrG°21. ± 8.4kJ/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 15Water = H30O19S-2

By formula: O4S-2 + 15H2O = H30O19S-2

Quantity Value Units Method Reference Comment
ΔrG°19. ± 8.4kJ/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 16Water = H32O20S-2

By formula: O4S-2 + 16H2O = H32O20S-2

Quantity Value Units Method Reference Comment
ΔrG°18. ± 8.4kJ/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 17Water = H34O21S-2

By formula: O4S-2 + 17H2O = H34O21S-2

Quantity Value Units Method Reference Comment
ΔrG°18. ± 8.4kJ/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 18Water = H36O22S-2

By formula: O4S-2 + 18H2O = H36O22S-2

Quantity Value Units Method Reference Comment
ΔrG°16. ± 8.4kJ/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

Sulfate + 19Water = H38O23S-2

By formula: O4S-2 + 19H2O = H38O23S-2

Quantity Value Units Method Reference Comment
ΔrG°15. ± 8.4kJ/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

(C10H6O6S2-2 • Water) + Water = (C10H6O6S2-2 • 2Water)

By formula: (C10H6O6S2-2 • H2O) + H2O = (C10H6O6S2-2 • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°29.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°17.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C4H5O4- • Water) + Water = (C4H5O4- • 2Water)

By formula: (C4H5O4- • H2O) + H2O = (C4H5O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°17.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C5H7O4- • Water) + Water = (C5H7O4- • 2Water)

By formula: (C5H7O4- • H2O) + H2O = (C5H7O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°26.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C5H7O4- • Water) + Water = (C5H7O4- • 2Water)

By formula: (C5H7O4- • H2O) + H2O = (C5H7O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°18.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C6H9O4- • Water) + Water = (C6H9O4- • 2Water)

By formula: (C6H9O4- • H2O) + H2O = (C6H9O4- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°18.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(H2O3P- • Water) + Water = (H2O3P- • 2Water)

By formula: (H2O3P- • H2O) + H2O = (H2O3P- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°28.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C4H9+ + Water = (C4H9+ • Water)

By formula: C4H9+ + H2O = (C4H9+ • H2O)

Quantity Value Units Method Reference Comment
ΔrH°46.9kJ/molPHPMSHiraoka and Kebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KPHPMSHiraoka and Kebarle, 1977gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°63.6kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°87.4J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

imidazolide anion + Water = (imidazolide anion • Water)

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

Quantity Value Units Method Reference Comment
ΔrH°63.6kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°94.6J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

C5H6O4-2 + Water = (C5H6O4-2 • Water)

By formula: C5H6O4-2 + H2O = (C5H6O4-2 • H2O)

Quantity Value Units Method Reference Comment
ΔrH°34. ± 18.kJ/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

C3H2F3O- + Water = (C3H2F3O- • Water)

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

Quantity Value Units Method Reference Comment
ΔrH°53.6kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°72.4J/mol*KPHPMSMeot-ner, 1988gas phase; M

C3H5O+ + Water = (C3H5O+ • Water)

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

Quantity Value Units Method Reference Comment
ΔrH°66.1kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°84.9J/mol*KPHPMSMeot-ner, 1988gas phase; M

(H3S+ • 2Water) + Water = (H3S+ • 3Water)

By formula: (H3S+ • 2H2O) + H2O = (H3S+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°18.kJ/molPIWalters and Blais, 1984gas phase; M

C3H6+ + Water = (C3H6+ • Water)

By formula: C3H6+ + H2O = (C3H6+ • H2O)

Quantity Value Units Method Reference Comment
ΔrH°43.5kJ/molCIDHolmes, Mommers, et al., 1984gas phase; structure confirmed as ion-dipole complex in Shao, Baer, et al., 1987; M

2,3-Butanediol, diacetate + 2Water = 2,3-Butanediol + 2Acetic acid

By formula: C8H14O4 + 2H2O = C4H10O2 + 2C2H4O2

Quantity Value Units Method Reference Comment
ΔrH°-22.3 ± 2.1kJ/molCmShlechter, Othmer, et al., 1945liquid phase; Heat of formation derived by Cox and Pilcher, 1970; ALS

H2O3- + Pyridine + Water = C5H7NO3-

By formula: H2O3- + C5H5N + H2O = C5H7NO3-

Quantity Value Units Method Reference Comment
ΔrH°137. ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

H4O4- + Naphthalene + 2Water = C10H12O4-

By formula: H4O4- + C10H8 + 2H2O = C10H12O4-

Quantity Value Units Method Reference Comment
ΔrH°219. ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

C10H25N2+ + Water = (C10H25N2+ • Water)

By formula: C10H25N2+ + H2O = (C10H25N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C12H29N2+ + Water = (C12H29N2+ • Water)

By formula: C12H29N2+ + H2O = (C12H29N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C2H6NO2+ + Water = (C2H6NO2+ • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C2H9N+ + Water = (C2H9N+ • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C3H11N2+ + Water = (C3H11N2+ • Water)

By formula: C3H11N2+ + H2O = (C3H11N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C4H13N2+ + Water = (C4H13N2+ • Water)

By formula: C4H13N2+ + H2O = (C4H13N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C5H15N2+ + Water = (C5H15N2+ • Water)

By formula: C5H15N2+ + H2O = (C5H15N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C6H12N3O4+ + Water = (C6H12N3O4+ • Water)

By formula: C6H12N3O4+ + H2O = (C6H12N3O4+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C6H15N2O2+ + Water = (C6H15N2O2+ • Water)

By formula: C6H15N2O2+ + H2O = (C6H15N2O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C6H17N2+ + Water = (C6H17N2+ • Water)

By formula: C6H17N2+ + H2O = (C6H17N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C7H19N2+ + Water = (C7H19N2+ • Water)

By formula: C7H19N2+ + H2O = (C7H19N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C8H20N+ + Water = (C8H20N+ • Water)

By formula: C8H20N+ + H2O = (C8H20N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C8H21N2+ + Water = (C8H21N2+ • Water)

By formula: C8H21N2+ + H2O = (C8H21N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C8H18N3O3+ + Water = (C8H18N3O3+ • Water)

By formula: C8H18N3O3+ + H2O = (C8H18N3O3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

H2O3- + Naphthalene + Water = C10H10O3-

By formula: H2O3- + C10H8 + H2O = C10H10O3-

Quantity Value Units Method Reference Comment
ΔrH°158. ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

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

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

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
63.6 (+7.5,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Al+ (3s2); M

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.

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]

Blades and Kebarle, 2005
Blades, A.T.; Kebarle, P., Sequential hydration energies of the sulfate ion, from determinations of the equilibrium constants for the gas-phase reactions: SO4(H2O)(n)(2-) = SO4(H2O)(n-1)(2-)+H2O, J. Phys. Chem. A, 2005, 109, 37, 8293-8298, https://doi.org/10.1021/jp0540353 . [all data]

Hiraoka and Kebarle, 1977
Hiraoka, K.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Proton in Hydrogen Sulfide and Hydrogen Sulfide - Water Mixtures. Stabilities of the Hydrogen Bonded Complexes H+(H2S)x(H2O)y, Can. J. Chem., 1977, 55, 1, 24, https://doi.org/10.1139/v77-005 . [all data]

Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M., Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole, J. Am. Chem. Soc., 1988, 110, 10, 3075, https://doi.org/10.1021/ja00218a014 . [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, 1988
Meot-ner, M., The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules, J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022 . [all data]

Walters and Blais, 1984
Walters, E.A.; Blais, N.C., Molecular beam photoionization and fragmentation of D2S, (H2S)2, (D2S)2, and H2S.H2O, J. Chem. Phys., 1984, 80, 3501. [all data]

Holmes, Mommers, et al., 1984
Holmes, J.L.; Mommers, A.A.; Szulejko, J.E.; Terlouw, J.K., Two new stable [C3H8O]+ isomers: The radical cations [C3H6OH2]+, J. Chem. Soc., Chem. Commun., 1984, 165. [all data]

Shao, Baer, et al., 1987
Shao, J.D.; Baer, T.; Morrow, J.C.; Frasier-Monterio, M.L., The Dissociation Dynamics of Energy Selected Ion-Dipole Complexes. 1. The Cyclopropane Ion - Water Complex [C-C3H6 - OH2], J. Chem. Phys., 1987, 87, 9, 5242, https://doi.org/10.1063/1.453693 . [all data]

Shlechter, Othmer, et al., 1945
Shlechter, N.; Othmer, D.F.; Marshak, S., Esterification of 2,3-butylene glycol with acetic acid, Ind. Eng. Chem., 1945, 37, 900-905. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Le Barbu, Schiedt, et al., 2002
Le Barbu, K.; Schiedt, J.; Weinkauf, R.; Schlag, E.W.; Nilles, J.M.; Xu, S.J.; Thomas, O.C.; Bowen, K.H., Microsolvation of small anions by aromatic molecules: An exploratory study, J. Chem. Phys., 2002, 116, 22, 9663-9671, https://doi.org/10.1063/1.1475750 . [all data]

Klassen, Blades, et al., 1995
Klassen, J.S.; Blades, A.T.; Kebarle, P., Determinations of Ion-Molecule Equilibria Involving Ions Produced by Electrospray. Hydration of Protonated Amines, Diamines, and Some Small Peptides, J. Phys. Chem., 1995, 99, 42, 15509, https://doi.org/10.1021/j100042a027 . [all data]

Dalleska, Tjelta, et al., 1994
Dalleska, N.F.; Tjelta, B.L.; Armentrout, P.B., Sequential Bond Energies of Water to Na+ (3s0), Mg+ (3s1), and Al+ (3s2), J. Phys. Chem., 1994, 98, 15, 4191, https://doi.org/10.1021/j100066a045 . [all data]

Notes

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