Water

• Formula: H₂O
• Molecular weight: 18.0153
• IUPAC Standard InChI: InChI=1S/H2O/h1H2 Copy

  
• IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N Copy
• CAS Registry Number: 7732-18-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Isotopologues:
  • Deuterium oxide
  • Water-t
  • Water-¹⁸O
  • Water-d
  • Water-t₂
  • Deuterium oxide
• Other names: Water vapor; Distilled water; Ice; H2O; Dihydrogen oxide; steam; Tritiotope
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data (reactions 301 to 350)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 501 to 550, reactions 551 to 600, reactions 601 to 650, reactions 651 to 700, reactions 701 to 750, reactions 751 to 800, reactions 801 to 850, reactions 851 to 900, reactions 901 to 950, reactions 951 to 1000, reactions 1001 to 1050, reactions 1051 to 1100, reactions 1101 to 1150, reactions 1151 to 1200, reactions 1201 to 1250, reactions 1251 to 1300, reactions 1301 to 1350, reactions 1351 to 1360
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • Reference simulation: SPC/E Water
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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
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

( • 13) +  = ( • 14)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 14) +  = ( • 15)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 15) +  = ( • 16)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 16) +  = ( • 17)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 17) +  = ( • 18)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 18) +  = ( • 19)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 19) +  = ( • 20)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 20) +  = ( • 21)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 21) +  = ( • 22)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 22) +  = ( • 23)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 23) +  = ( • 24)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 24) +  = ( • 25)

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

Bond type: Hydrogen bond (positive ion to hydride)

( •  • ) +  = ( • 2 • )

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

Bond type: Hydrogen bond (negative ion to hydride)

 +  =  + 2

By formula: C₆H₁₄O₃ + H₂O = C₄H₈O₂ + 2CH₄O

(C₂H₇O⁺ • ) +  = (C₂H₇O⁺ •  • )

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 10) +  = ( • 11)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 11) +  = ( • 12)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 25) +  = ( • 26)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 26) +  = ( • 27)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 9) +  = ( • 10)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 8) +  = ( • 9)

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

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₁₀N⁺ • 2) +  = (C₃H₁₀N⁺ • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(C₃H₁₀N⁺ • ) +  = (C₃H₁₀N⁺ • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( •  • 2) +  = ( • 2 • 2)

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

C₁₀H₂₆N₂⁺² +  = (C₁₀H₂₆N₂⁺² • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₆H₁₈N₂⁺² +  = (C₆H₁₈N₂⁺² • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₇H₂₂⁺² +  = (C₇H₂₂⁺² • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₈H₂₂N₂⁺² +  = (C₈H₂₂N₂⁺² • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₉H₂₄N₂⁺² +  = (C₉H₂₄N₂⁺² • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₁₂H₃₀N₂ +  = (C₁₂H₃₀N₂ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₂H₈N⁺ +  = (C₂H₈N⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₆H₁₆N⁺ +  = (C₆H₁₆N⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 5) +  = ( • 6)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 6) +  = ( • 7)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • ) +  = ( •  • )

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

Free energy of reaction

3 (g) +  (l) = AlH₃O₃ (amorphous) + 3 (g)

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

( • 2) +  = ( •  • 2)

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

(CH₃O₃S^- • 2) +  = (CH₃O₃S^- • 3)

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

( • 7) +  = ( • 8)

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

Bond type: Hydrogen bond (positive ion to hydride)

(CF₃O₃S^- • ) +  = (CF₃O₃S^- • 2)

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

(CH₃O₃S^- • ) +  = (CH₃O₃S^- • 2)

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

( •  • ) +  = ( • 2 • )

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

( • ) +  = ( •  • )

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

C₄H₅S⁺ +  = (C₄H₅S⁺ • )

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

C₈H₁₂O₄^-2 +  = (C₈H₁₂O₄^-2 • )

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

Bond type: Hydrogen bond (negative ion to hydride)

(ClO₃^- • ) +  = (ClO₃^- • 2)

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

(C₃H₂NO₂^- • ) +  = (C₃H₂NO₂^- • 2)

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

(C₂HCl₂O₂^- • ) +  = (C₂HCl₂O₂^- • 2)

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

(CN^- •  • ) +  = (CN^- • 2 • )

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

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

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

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
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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

• Symbols used in this document:
  

  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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