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
MS - José A. Martinho Simões
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 951 to 1000

(Aluminum ion (1+) • 3Water) + Water = (Aluminum ion (1+) • 4Water)

By formula: (Al+ • 3H2O) + H2O = (Al+ • 4H2O)

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
52.3 (+5.9,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Al+ (3s2); M

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

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

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
67.4 (+5.0,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Al+ (3s2); M

C30H28Fe2Ti (cr) + 2(Hydrogen chloride • 4.40Water) (solution) = 2Ferrocene (cr) + Titanocene dichloride (cr)

By formula: C30H28Fe2Ti (cr) + 2(HCl • 4.40H2O) (solution) = 2C10H10Fe (cr) + C10H10Cl2Ti (cr)

Quantity Value Units Method Reference Comment
ΔrH°-253.5 ± 4.5kJ/molRSCDias, Salema, et al., 1982Please also see Calhorda, Dias, et al., 1987.; MS

C5H5ClN+ + Water = (C5H5ClN+ • Water)

By formula: C5H5ClN+ + H2O = (C5H5ClN+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
21.400.PHPMSDavidson, Sunner J., et al., 1979gas phase; M

C5H5N2O2+ + Water = (C5H5N2O2+ • Water)

By formula: C5H5N2O2+ + H2O = (C5H5N2O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
25.400.PHPMSDavidson, Sunner J., et al., 1979gas phase; M

C6H5N2+ + Water = (C6H5N2+ • Water)

By formula: C6H5N2+ + H2O = (C6H5N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
25.400.PHPMSDavidson, Sunner J., et al., 1979gas phase; M

C6H6ClO+ + Water = (C6H6ClO+ • Water)

By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
12.436.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6ClO+ + Water = (C6H6ClO+ • Water)

By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
20.443.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6ClO+ + Water = (C6H6ClO+ • Water)

By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
26.453.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6NO3+ + Water = (C6H6NO3+ • Water)

By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.427.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6NO3+ + Water = (C6H6NO3+ • Water)

By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.427.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H6NO3+ + Water = (C6H6NO3+ • Water)

By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.427.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H7O2+ + Water = (C6H7O2+ • Water)

By formula: C6H7O2+ + H2O = (C6H7O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
12.454.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H7O2+ + Water = (C6H7O2+ • Water)

By formula: C6H7O2+ + H2O = (C6H7O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
19.454.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H7O2 + Water = (C6H7O2 • Water)

By formula: C6H7O2 + H2O = (C6H7O2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.454.PHPMSMartinsen and Buttrill, 1978gas phase; M

C6H8NO+ + Water = (C6H8NO+ • Water)

By formula: C6H8NO+ + H2O = (C6H8NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
14.400.PHPMSDavidson, Sunner J., et al., 1979gas phase; M

C7H6NO+ + Water = (C7H6NO+ • Water)

By formula: C7H6NO+ + H2O = (C7H6NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
32.426.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H7O3+ + Water = (C7H7O3+ • Water)

By formula: C7H7O3+ + H2O = (C7H7O3+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
23.452.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H9O+ + Water = (C7H9O+ • Water)

By formula: C7H9O+ + H2O = (C7H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.454.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H9O+ + Water = (C7H9O+ • Water)

By formula: C7H9O+ + H2O = (C7H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
19.447.PHPMSMartinsen and Buttrill, 1978gas phase; M

C7H9O+ + Water = (C7H9O+ • Water)

By formula: C7H9O+ + H2O = (C7H9O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.447.PHPMSMartinsen and Buttrill, 1978gas phase; M

C8H11O+ + Water = (C8H11O+ • Water)

By formula: C8H11O+ + H2O = (C8H11O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.455.PHPMSMartinsen and Buttrill, 1978gas phase; M

C8H11O+ + Water = (C8H11O+ • Water)

By formula: C8H11O+ + H2O = (C8H11O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
16.453.PHPMSMartinsen and Buttrill, 1978gas phase; M

C8H11O+ + Water = (C8H11O+ • Water)

By formula: C8H11O+ + H2O = (C8H11O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.455.PHPMSMartinsen and Buttrill, 1978gas phase; M

CH2O2S- + 2Water = CH4O3S-

By formula: CH2O2S- + 2H2O = CH4O3S-

Quantity Value Units Method Reference Comment
ΔrH°44.8 ± 8.4kJ/molN/ASurber and Sanov, 2002gas phase; Stated electron affinity is the Vertical Detachment Energy; B

Benzoyl chloride, 2-chloro- + Water = Benzoic acid, 2-chloro- + Hydrogen chloride

By formula: C7H4Cl2O + H2O = C7H5ClO2 + HCl

Quantity Value Units Method Reference Comment
ΔrH°-39.8 ± 0.3kJ/molCmMoselhy and Pritchard, 1975liquid phase; solvent: Diphenyl-ether; Heat of hydrolysis; ALS

C12H16Mo (cr) + 2(Hydrogen chloride • 5.55Water) (solution) = C10H10Cl2Mo (cr) + 2Methane (g)

By formula: C12H16Mo (cr) + 2(HCl • 5.55H2O) (solution) = C10H10Cl2Mo (cr) + 2CH4 (g)

Quantity Value Units Method Reference Comment
ΔrH°-193.6 ± 3.0kJ/molRSCCalado, Dias, et al., 1978Please also see Calhorda, Dias, et al., 1987.; MS

ClO3- + Water = (ClO3- • Water)

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

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

1,1,1-Trimethoxy-2-chloroethane + Water = 2Methyl Alcohol + Acetic acid, chloro-, methyl ester

By formula: C5H11ClO3 + H2O = 2CH4O + C3H5ClO2

Quantity Value Units Method Reference Comment
ΔrH°-32.6 ± 1.1kJ/molEqkGuthrie and Cullimore, 1980liquid phase; Using Hf(s,ClCH2COOH)=-122.0±2.0 kcal/mol; ALS

C22H20O2Ti (cr) + 2(Hydrogen chloride • 5.55Water) (solution) = 2Phenol (cr) + Titanocene dichloride (cr)

By formula: C22H20O2Ti (cr) + 2(HCl • 5.55H2O) (solution) = 2C6H6O (cr) + C10H10Cl2Ti (cr)

Quantity Value Units Method Reference Comment
ΔrH°-5.8 ± 2.5kJ/molRSCDias, Salema, et al., 1981Please also see Calhorda, Carrondo, et al., 1986.; MS

C14H10Cl6O4Ti (cr) + 2(Hydrogen chloride • 4.40Water) (solution) = Titanocene dichloride (cr) + 2Trichloroacetic Acid (cr)

By formula: C14H10Cl6O4Ti (cr) + 2(HCl • 4.40H2O) (solution) = C10H10Cl2Ti (cr) + 2C2HCl3O2 (cr)

Quantity Value Units Method Reference Comment
ΔrH°13.4 ± 2.6kJ/molRSCDias, Salema, et al., 1984Please also see Calhorda, Carrondo, et al., 1986.; MS

C10H10N6Ti (cr) + 2(Hydrogen chloride • 4.18Water) (solution) = Titanocene dichloride (cr) + 2Hydrogen azide (g)

By formula: C10H10N6Ti (cr) + 2(HCl • 4.18H2O) (solution) = C10H10Cl2Ti (cr) + 2HN3 (g)

Quantity Value Units Method Reference Comment
ΔrH°75.7 ± 5.8kJ/molRSCCalhorda, Gomes da Costa, et al., 1982Please also see Dias, Dias, et al., 1987.; MS

C12H16W (cr) + 2(Hydrogen chloride • 5.55Water) (solution) = C10H10Cl2W (cr) + 2Methane (g)

By formula: C12H16W (cr) + 2(HCl • 5.55H2O) (solution) = C10H10Cl2W (cr) + 2CH4 (g)

Quantity Value Units Method Reference Comment
ΔrH°-169.9 ± 2.3kJ/molRSCCalado, Dias, et al., 1978Please also see Calhorda, Dias, et al., 1987.; MS

C4H9Li (l) + Water (g) = Butane (g) + HLiO (cr)

By formula: C4H9Li (l) + H2O (g) = C4H10 (g) + HLiO (cr)

Quantity Value Units Method Reference Comment
ΔrH°-240.2 ± 2.9kJ/molRSCFowell and Mortimer, 1961Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS

4Ethanol (l) + Titanium tetrachloride (l) = titanium(4+) ethanolate (l) + 4(Hydrogen chloride • 51.3Water) (solution)

By formula: 4C2H6O (l) + Cl4Ti (l) = C8H20O4Ti (l) + 4(HCl • 51.3H2O) (solution)

Quantity Value Units Method Reference Comment
ΔrH°-205.4 ± 4.2kJ/molRSCBradley and Hillyer, 1966Please also see Pedley and Rylance, 1977.; MS

C10H17O4- + Water = (C10H17O4- • Water)

By formula: C10H17O4- + H2O = (C10H17O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°21.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°33.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C2Cl3O2- + Water = (C2Cl3O2- • Water)

By formula: C2Cl3O2- + H2O = (C2Cl3O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°24.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C2HO4- + Water = (C2HO4- • Water)

By formula: C2HO4- + H2O = (C2HO4- • H2O)

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

C3H3O4- + Water = (C3H3O4- • Water)

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

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

C4H3O4- + Water = (C4H3O4- • Water)

By formula: C4H3O4- + H2O = (C4H3O4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°21.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C4H3O4- + Water = (C4H3O4- • Water)

By formula: C4H3O4- + H2O = (C4H3O4- • H2O)

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

C4H5O4- + Water = (C4H5O4- • Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°23.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C5H7O4- + Water = (C5H7O4- • Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°35.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C6H9O4- + Water = (C6H9O4- • Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°24.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C7H11O4-2 + Water = (C7H11O4-2 • Water)

By formula: C7H11O4-2 + H2O = (C7H11O4-2 • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°23.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

C8H4O4- + Water = (C8H4O4- • Water)

By formula: C8H4O4- + H2O = (C8H4O4- • H2O)

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

C8H5O4- + Water = (C8H5O4- • Water)

By formula: C8H5O4- + H2O = (C8H5O4- • H2O)

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

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

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

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- + Water = (H2O3P- • Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrG°33.kJ/molES/HPMSBlades, Klassen, et al., 1995gas phase; 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.

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]

Dias, Salema, et al., 1982
Dias, A.R.; Salema, M.S.; Martinho Simões, J.A., Organometallics, 1982, 1, 971. [all data]

Calhorda, Dias, et al., 1987
Calhorda, M.J.; Dias, A.R.; Minas da Piedade M.E.; Salema, M.S.; Martinho Simões J.A., Organometallics, 1987, 6, 734. [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]

Martinsen and Buttrill, 1978
Martinsen, D.P.; Buttrill, S.E., Hydrogen Bonding of Water to Gas - Phase Ions. Structural and Stereochemical Effects in Protonated Phenols, J. Am. Chem. Soc., 1978, 100, 21, 6559, https://doi.org/10.1021/ja00489a002 . [all data]

Surber and Sanov, 2002
Surber, E.; Sanov, A., Photoelectron imaging spectroscopy of molecular and cluster anions: CS2- and OCS-(H2O)(1,2), J. Chem. Phys., 2002, 116, 14, 5921-5924, https://doi.org/10.1063/1.1467916 . [all data]

Moselhy and Pritchard, 1975
Moselhy, G.M.; Pritchard, H.O., The thermochemistry of the chloro-benzoyl chlorides, J. Chem. Thermodyn., 1975, 7, 977-982. [all data]

Calado, Dias, et al., 1978
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A.; Ribeiro da Silva, M.A.V., J. Chem. Soc., Chem. Commun., 1978, 737.. [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]

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]

Dias, Salema, et al., 1981
Dias, A.R.; Salema, M.S.; Martinho Simões, J.A., J. Organometal. Chem., 1981, 222, 69. [all data]

Calhorda, Carrondo, et al., 1986
Calhorda, M.J.; Carrondo, M.A.A.F.C.T.; Dias, A.R.; Domingos, A.M.T.S.; Martinho Simões, J.A.; Teixeira, C., Organometallics, 1986, 5, 660. [all data]

Dias, Salema, et al., 1984
Dias, A.R.; Salema, M.S.; Martinho Simões, J.A., Rev. Port. Quím., 1984, 26, 227. [all data]

Calhorda, Gomes da Costa, et al., 1982
Calhorda, M.J.; Gomes da Costa, R.; Dias, A.R.; Martinho Simões, J.A., J. Chem. Soc., Dalton Trans., 1982, 2327.. [all data]

Dias, Dias, et al., 1987
Dias, A.R.; Dias, P.B.; Diogo, H.P.; Galvão, A.M.; Minas da Piedade, M.E.; Martinho Simões, J.A., Organometallics, 1987, 6, 1427. [all data]

Fowell and Mortimer, 1961
Fowell, P.A.; Mortimer, C.T., J. Chem. Soc., 1961, 3793.. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [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]

Bradley and Hillyer, 1966
Bradley, D.C.; Hillyer, M.J., Trans. Faraday Soc., 1966, 62, 2367. [all data]

Notes

Go To: Top, Reaction thermochemistry data, References