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
  The 3d structure may be viewed using Java or Javascript.
• 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 401 to 450)
  • 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 301 to 350, reactions 351 to 400, 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)
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
  • Reference simulation: SPC/E Water
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
RCD - Robert C. Dunbar

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 401 to 450

(HO^- • 2) +  = (HO^- • 3)

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

 +  = ( • )

By formula: Fe⁺ + H₂O = (Fe⁺ • H₂O)

Enthalpy of reaction

 +  = ( • )

By formula: Cr⁺ + H₂O = (Cr⁺ • H₂O)

Enthalpy of reaction

 +  = ( • )

By formula: Mn⁺ + H₂O = (Mn⁺ • H₂O)

Enthalpy of reaction

 +  = ( • )

By formula: V⁺ + H₂O = (V⁺ • H₂O)

Enthalpy of reaction

 +  = ( • )

By formula: Ni⁺ + H₂O = (Ni⁺ • H₂O)

Enthalpy of reaction

 +  = ( • )

By formula: Co⁺ + H₂O = (Co⁺ • H₂O)

Enthalpy of reaction

(C₂H₇O⁺ • 2 • ) +  = (C₂H₇O⁺ • 3 • )

By formula: (C₂H₇O⁺ • 2C₂H₆O • H₂O) + C₂H₆O = (C₂H₇O⁺ • 3C₂H₆O • H₂O)

Bond type: Hydrogen bonds between protonated and neutral organics

( • 3 • 2) +  = ( • 4 • 2)

By formula: (H₃O⁺ • 3N₂ • 2H₂O) + N₂ = (H₃O⁺ • 4N₂ • 2H₂O)

C₁₆H₃₄OP₂Ru (solution) +  (solution) = C₁₇H₃₃NP₂Ru (solution) +  (solution)

By formula: C₁₆H₃₄OP₂Ru (solution) + CHN (solution) = C₁₇H₃₃NP₂Ru (solution) + H₂O (solution)

H₁₂O₁₀S^-2 + 7 = H₁₄O₁₁S^-2

By formula: H₁₂O₁₀S^-2 + 7H₂O = H₁₄O₁₁S^-2

H₁₄O₁₁S^-2 + 8 = H₁₆O₁₂S^-2

By formula: H₁₄O₁₁S^-2 + 8H₂O = H₁₆O₁₂S^-2

H₁₆O₁₂S^-2 + 9 = H₁₈O₁₃S^-2

By formula: H₁₆O₁₂S^-2 + 9H₂O = H₁₈O₁₃S^-2

(CN^- • 3) +  = (CN^- •  • 3)

By formula: (CN^- • 3H₂O) + CHN = (CN^- • CHN • 3H₂O)

Free energy of reaction

( • 5) +  = ( • 6)

By formula: (HO^- • 5H₂O) + H₂O = (HO^- • 6H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

( • 6) +  = ( • 7)

By formula: (HO^- • 6H₂O) + H₂O = (HO^- • 7H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

C₆H₅NO₂^- +  = (C₆H₅NO₂^- • )

By formula: C₆H₅NO₂^- + H₂O = (C₆H₅NO₂^- • H₂O)

(C₂H₇O⁺ •  • 2) +  = (C₂H₇O⁺ • 2 • 2)

By formula: (C₂H₇O⁺ • H₂O • 2C₂H₆O) + H₂O = (C₂H₇O⁺ • 2H₂O • 2C₂H₆O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₇O⁺ •  • 3) +  = (C₂H₇O⁺ • 2 • 3)

By formula: (C₂H₇O⁺ • H₂O • 3C₂H₆O) + H₂O = (C₂H₇O⁺ • 2H₂O • 3C₂H₆O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₇O⁺ • 2 • ) +  = (C₂H₇O⁺ • 3 • )

By formula: (C₂H₇O⁺ • 2H₂O • C₂H₆O) + H₂O = (C₂H₇O⁺ • 3H₂O • C₂H₆O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₇O⁺ • 2) +  = (C₂H₇O⁺ •  • 2)

By formula: (C₂H₇O⁺ • 2H₂O) + C₂H₆O = (C₂H₇O⁺ • C₂H₆O • 2H₂O)

Bond type: Hydrogen bonds of the type OH-O between organics

(C₂H₇O⁺ • 3) +  = (C₂H₇O⁺ •  • 3)

By formula: (C₂H₇O⁺ • 3H₂O) + C₂H₆O = (C₂H₇O⁺ • C₂H₆O • 3H₂O)

Bond type: Hydrogen bonds of the type OH-O between organics

(C₄H₅N⁺ • ) +  = (C₄H₅N⁺ • 2)

By formula: (C₄H₅N⁺ • H₂O) + H₂O = (C₄H₅N⁺ • 2H₂O)

C₂H^- +  = (C₂H^- • )

By formula: C₂H^- + H₂O = (C₂H^- • H₂O)

(C₂H₇O⁺ •  • ) +  = (C₂H₇O⁺ • 2 • )

By formula: (C₂H₇O⁺ • H₂O • C₂H₆O) + H₂O = (C₂H₇O⁺ • 2H₂O • C₂H₆O)

Bond type: Hydrogen bond (positive ion to hydride)

(CH₂N⁺ •  • ) +  = (CH₂N⁺ • 2 • )

By formula: (CH₂N⁺ • H₂O • CHN) + H₂O = (CH₂N⁺ • 2H₂O • CHN)

Bond type: Hydrogen bond (positive ion to hydride)

C₁₆H₃₄OP₂Ru (solution) +  (solution) = C₁₇H₃₆OP₂Ru (solution) +  (solution)

By formula: C₁₆H₃₄OP₂Ru (solution) + CH₄O (solution) = C₁₇H₃₆OP₂Ru (solution) + H₂O (solution)

C₂H₇S⁺ +  = (C₂H₇S⁺ • )

By formula: C₂H₇S⁺ + H₂O = (C₂H₇S⁺ • H₂O)

 +  = ( • )

By formula: C₅H₅^- + H₂O = (C₅H₅^- • H₂O)

C₂H₂N^- +  = (C₂H₂N^- • )

By formula: C₂H₂N^- + H₂O = (C₂H₂N^- • H₂O)

 +  = ( • )

By formula: C₄H₄N^- + H₂O = (C₄H₄N^- • H₂O)

C₂H₃O^- +  = (C₂H₃O^- • )

By formula: C₂H₃O^- + H₂O = (C₂H₃O^- • H₂O)

(C₂H₄N⁺ • 2 • ) +  = (C₂H₄N⁺ • 3 • )

By formula: (C₂H₄N⁺ • 2H₂O • C₂H₃N) + H₂O = (C₂H₄N⁺ • 3H₂O • C₂H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₇O⁺ • ) +  = (C₂H₇O⁺ •  • )

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

Bond type: Hydrogen bonds of the type OH-O between organics

(C₂H₄N⁺ •  • ) +  = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • H₂O • C₂H₃N) + H₂O = (C₂H₄N⁺ • 2H₂O • C₂H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • H₃N • 2H₂O) + H₃N = (H₄N⁺ • 2H₃N • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • H₂O • 2H₃N) + H₂O = (H₄N⁺ • 2H₂O • 2H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(CH₅O⁺ •  • ) +  = (CH₅O⁺ • 2 • )

By formula: (CH₅O⁺ • CH₄O • H₂O) + CH₄O = (CH₅O⁺ • 2CH₄O • H₂O)

Bond type: Hydrogen bonds of the type OH-O between organics

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₃N • H₂O) + H₃N = (H₄N⁺ • 3H₃N • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₂O • H₃N) + H₂O = (H₄N⁺ • 3H₂O • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(CO₃^- • ) +  = (CO₃^- • 2)

By formula: (CO₃^- • H₂O) + H₂O = (CO₃^- • 2H₂O)

Free energy of reaction

( • 27) +  = ( • 28)

By formula: (H₃O⁺ • 27H₂O) + H₂O = (H₃O⁺ • 28H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₃N • H₂O) + H₃N = (H₄N⁺ • 2H₃N • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₂O • H₃N) + H₂O = (H₄N⁺ • 2H₂O • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(C₄H₁₁O₂⁺ • 2 • ) +  = (C₄H₁₁O₂⁺ • 3 • )

By formula: (C₄H₁₁O₂⁺ • 2H₂O • C₄H₁₀O₂) + H₂O = (C₄H₁₁O₂⁺ • 3H₂O • C₄H₁₀O₂)

Bond type: Hydrogen bond (positive ion to hydride)

(C₄H₁₁O₂⁺ •  • 2) +  = (C₄H₁₁O₂⁺ • 2 • 2)

By formula: (C₄H₁₁O₂⁺ • H₂O • 2C₄H₁₀O₂) + H₂O = (C₄H₁₁O₂⁺ • 2H₂O • 2C₄H₁₀O₂)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: Li⁺ + H₂O = (Li⁺ • H₂O)

(C₄H₁₁O₂⁺ •  • ) +  = (C₄H₁₁O₂⁺ • 2 • )

By formula: (C₄H₁₁O₂⁺ • H₂O • C₄H₁₀O₂) + H₂O = (C₄H₁₁O₂⁺ • 2H₂O • C₄H₁₀O₂)

Bond type: Hydrogen bond (positive ion to hydride)

(CH₅O⁺ • 2 • 2) +  = (CH₅O⁺ • 3 • 2)

By formula: (CH₅O⁺ • 2H₂O • 2CH₄O) + H₂O = (CH₅O⁺ • 3H₂O • 2CH₄O)

Bond type: Hydrogen bond (positive ion to hydride)

(CH₅O⁺ •  • 2) +  = (CH₅O⁺ • 2 • 2)

By formula: (CH₅O⁺ • H₂O • 2CH₄O) + H₂O = (CH₅O⁺ • 2H₂O • 2CH₄O)

Bond type: Hydrogen bond (positive ion to hydride)

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.

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO₂-, NO₃-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Meot-Ner (Mautner) and Speller, 1986
Meot-Ner (Mautner), M.; Speller, C.V., The Filling of Solvent Shells in Cluster Ions: Thermochemical Criteria nd the Effects of Isomeric Clusters, J. Phys. Chem., 1986, 90, 25, 6616, https://doi.org/10.1021/j100283a006 . [all data]

Magnera, David, et al., 1989
Magnera, T.F.; David, D.E.; Michl, J., Gas -Phase Water and Hydroxyl Binding Energies for Monopoisitive First - Row Transition - Metal Ions, J. Am. Chem. Soc., 1989, 111, 11, 4101, https://doi.org/10.1021/ja00193a051 . [all data]

Marinelli and Squires, 1989
Marinelli, P.J.; Squires, R.R., Sequential Solvation of Atomic Transition Metal Ions: The Second Solvent Molecule Can Bind More Strongly than the First, J. Am. Chem. Soc., 1989, 111, 11, 4101, https://doi.org/10.1021/ja00193a052 . [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Tholman, Tonner, et al., 1994
Tholman, D.; Tonner, D.S.; McMahon, T.B., Spontaneous Unimolecular Dissociation of Small Cluster Ions, (H3O)+(L)n and Cl-(H2O)n (n = 2-4), under Fourier Transform Ion Cyclotron Resonance Conditions, J. Phys. Chem., 1994, 98, 8, 2002, https://doi.org/10.1021/j100059a002 . [all data]

Gheno and Fitaire, 1987
Gheno, F.; Fitaire, M., Association of N2 with NH4+ and H3O+(H2O)n, n = 1,2,3, J. Chem. Phys., 1987, 87, 2, 953, https://doi.org/10.1063/1.453250 . [all data]

Bryndza, Fong, et al., 1987
Bryndza, H.E.; Fong, L.K.; Paciello, R.A.; Tam, W.; Bercaw, J.E., J. Am. Chem. Soc., 1987, 109, 1444. [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]

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]

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]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO₂^- and C₆H₅NO₂^- by Polar Molecules in the Vapor Phase. Comparison with Cl^- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [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]

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]

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]

Berman and Beauchamp, 1986
Berman, D.W.; Beauchamp, J.L., Quoted in Keesee and Castleman, 1986, 1986. [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Meot-Ner (Mautner) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W., The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters, J. Phys. Chem., 1985, 89, 24, 5222, https://doi.org/10.1021/j100270a021 . [all data]

Deakyne, Meot-Ner (Mautner), et al., 1986
Deakyne, C.A.; Meot-Ner (Mautner), M.; Campbell, C.L.; Hughes, M.G.; Murphy, S.P., Multicomponent Cluster Ions. 1. The Acetonitrile - Water System, J. Chem. Phys., 1986, 90, 4648. [all data]

Payzant, Cunningham, et al., 1973
Payzant, J.D.; Cunningham, A.J.; Kebarle, P., Gas - Phase Solvation of Ammonium Ion by NH3 and H2O and Stabilities of Mixed Clusters NH4+(NH3)n(H2O)w, Can. J. Chem., 1973, 51, 19, 3242, https://doi.org/10.1139/v73-485 . [all data]

Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M., Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol, J. Am. Chem. Soc., 1986, 108, 20, 6189, https://doi.org/10.1021/ja00280a014 . [all data]

Keesee, Lee, et al., 1979
Keesee, R.G.; Lee, N.; Castleman Jr., Properties of Clusters in the Gas Phase. 3. Hydration Complexes of CO₃^- and HCO₃^-, J. Am. Chem. Soc., 1979, 101, 10, 2599, https://doi.org/10.1021/ja00504a015 . [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]

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]

Meot-Ner (Mautner), Sieck, et al., 1994
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.; Duan, X., The Ionic Hydrogen Bond. 5. Polydentate and Solvent-Bridged Structures. Complexing of the Proton and the Hydronium Ions by Polyethers, J. Am. Chem. Soc., 1994, 116, 17, 7848, https://doi.org/10.1021/ja00096a047 . [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [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]

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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