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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar31.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar26.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar25.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar32.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar29.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar25.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar22.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar22.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar20.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
Deltar21. ± 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
Deltar21. ± 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
Deltar19. ± 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
Deltar18. ± 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
Deltar18. ± 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
Deltar16. ± 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
Deltar15. ± 8.4kJ/molIMREBlades and Kebarle, 2005gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar29.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar17.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar17.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar26.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar18.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar18.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar28.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C4H9+ + Water = (C4H9+ bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSHiraoka and Kebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KPHPMSHiraoka and Kebarle, 1977gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar63.6kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar87.4J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

imidazolide anion + Water = (imidazolide anion bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar63.6kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar94.6J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

C5H6O4-2 + Water = (C5H6O4-2 bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar34. ± 18.kJ/molN/ADing, Wang, et al., 1998gas phase; Affinity is EA difference from next lower solvated ion.; B

C3H2F3O- + Water = (C3H2F3O- bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar53.6kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar72.4J/mol*KPHPMSMeot-ner, 1988gas phase; M

C3H5O+ + Water = (C3H5O+ bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar66.1kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar84.9J/mol*KPHPMSMeot-ner, 1988gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar18.kJ/molPIWalters and Blais, 1984gas phase; M

C3H6+ + Water = (C3H6+ bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar43.5kJ/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
Deltar-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
Deltar137. ± 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
Deltar219. ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

C10H25N2+ + Water = (C10H25N2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C12H29N2+ + Water = (C12H29N2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C2H6NO2+ + Water = (C2H6NO2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C2H9N+ + Water = (C2H9N+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C3H11N2+ + Water = (C3H11N2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C4H13N2+ + Water = (C4H13N2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C5H15N2+ + Water = (C5H15N2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C6H12N3O4+ + Water = (C6H12N3O4+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C6H15N2O2+ + Water = (C6H15N2O2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C6H17N2+ + Water = (C6H17N2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C7H19N2+ + Water = (C7H19N2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C8H20N+ + Water = (C8H20N+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C8H21N2+ + Water = (C8H21N2+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

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

C8H18N3O3+ + Water = (C8H18N3O3+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

DeltarG° (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
Deltar158. ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

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

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

Enthalpy of reaction

DeltarH° (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

Go To: Top, Reaction thermochemistry data, References