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 101 to 150)
  • 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 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, 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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• 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

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 101 to 150

C₄H₉O^- +  = (C₄H₉O^- • )

By formula: C₄H₉O^- + H₂O = (C₄H₉O^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

C₃H₉Sn⁺ +  = (C₃H₉Sn⁺ • )

By formula: C₃H₉Sn⁺ + H₂O = (C₃H₉Sn⁺ • H₂O)

Free energy of reaction

( • 6) +  = ( • 7)

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

Bond type: Hydrogen bond (negative ion to hydride)

 +  = ( • )

By formula: C₄H₇O₂^- + H₂O = (C₄H₇O₂^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

(CN^- • 3) +  = (CN^- • 4)

By formula: (CN^- • 3H₂O) + H₂O = (CN^- • 4H₂O)

Free energy of reaction

C₆H₉N₂⁺ +  = (C₆H₉N₂⁺ • )

By formula: C₆H₉N₂⁺ + H₂O = (C₆H₉N₂⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

C₂H₇O⁺ +  = (C₂H₇O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

CH₅S⁺ +  = (CH₅S⁺ • )

By formula: CH₅S⁺ + H₂O = (CH₅S⁺ • H₂O)

Free energy of reaction

 +  = ( • )

By formula: O₂^- + H₂O = (O₂^- • H₂O)

(O₃P^- • ) +  = (O₃P^- • 2)

By formula: (O₃P^- • H₂O) + H₂O = (O₃P^- • 2H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

( • ) +  = ( •  • )

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

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

(C₂H₄N⁺ •  • 2) +  = (C₂H₄N⁺ • 2 • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • ) +  = ( • 2)

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

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(C₄H₁₁O₂⁺ • 3 • ) +  = (C₄H₁₁O₂⁺ • 4 • )

By formula: (C₄H₁₁O₂⁺ • 3H₂O • C₄H₁₀O₂) + H₂O = (C₄H₁₁O₂⁺ • 4H₂O • C₄H₁₀O₂)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(CH₅O⁺ • 2 • 3) +  = (CH₅O⁺ • 3 • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(CH₅O⁺ • 3 • 2) +  = (CH₅O⁺ • 4 • 2)

By formula: (CH₅O⁺ • 3H₂O • 2CH₄O) + H₂O = (CH₅O⁺ • 4H₂O • 2CH₄O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(CH₅O⁺ • 4 • ) +  = (CH₅O⁺ • 5 • )

By formula: (CH₅O⁺ • 4H₂O • CH₄O) + H₂O = (CH₅O⁺ • 5H₂O • CH₄O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(CH₅O⁺ • ) +  = (CH₅O⁺ •  • )

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

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

Free energy of reaction

( • 3) +  = ( • 4)

By formula: (H₄N⁺ • 3H₂O) + H₂O = (H₄N⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • ) +  = (H₃S⁺ •  • )

By formula: (H₃S⁺ • H₂S) + H₂O = (H₃S⁺ • H₂O • H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

HS^- +  = (HS^- • )

By formula: HS^- + H₂O = (HS^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

C₉H₁₄N⁺ +  = (C₉H₁₄N⁺ • )

By formula: C₉H₁₄N⁺ + H₂O = (C₉H₁₄N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(C₅H₁₆N₂⁺² • ) +  = (C₅H₁₆N₂⁺² • 2)

By formula: (C₅H₁₆N₂⁺² • H₂O) + H₂O = (C₅H₁₆N₂⁺² • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₃H₉O⁺ +  = (C₃H₉O⁺ • )

By formula: C₃H₉O⁺ + H₂O = (C₃H₉O⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O⁺ • 5) +  = (C₆H₁₅O⁺ • 6)

By formula: (C₆H₁₅O⁺ • 5H₂O) + H₂O = (C₆H₁₅O⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

O^- +  = (O^- • )

By formula: O^- + H₂O = (O^- • H₂O)

(H₃S⁺ • ) +  = (H₃S⁺ • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 4) +  = ( • 5)

By formula: (HO^- • 4H₂O) + H₂O = (HO^- • 5H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

( •  • ) +  = ( • 2 • )

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

Bond type: Hydrogen bond (negative ion to hydride)

C₂H₄N⁺ +  = (C₂H₄N⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

(Ca⁺² • 10) +  = (Ca⁺² • 11)

By formula: (Ca⁺² • 10H₂O) + H₂O = (Ca⁺² • 11H₂O)

Free energy of reaction

(Ca⁺² • 11) +  = (Ca⁺² • 12)

By formula: (Ca⁺² • 11H₂O) + H₂O = (Ca⁺² • 12H₂O)

Free energy of reaction

(Mn⁺² • 11) +  = (Mn⁺² • 12)

By formula: (Mn⁺² • 11H₂O) + H₂O = (Mn⁺² • 12H₂O)

Free energy of reaction

(Co⁺² • 10) +  = (Co⁺² • 11)

By formula: (Co⁺² • 10H₂O) + H₂O = (Co⁺² • 11H₂O)

Free energy of reaction

(Co⁺² • 11) +  = (Co⁺² • 12)

By formula: (Co⁺² • 11H₂O) + H₂O = (Co⁺² • 12H₂O)

Free energy of reaction

C₅H₁₀NO₂⁺ +  = (C₅H₁₀NO₂⁺ • )

By formula: C₅H₁₀NO₂⁺ + H₂O = (C₅H₁₀NO₂⁺ • H₂O)

(Ca⁺² • 9) +  = (Ca⁺² • 10)

By formula: (Ca⁺² • 9H₂O) + H₂O = (Ca⁺² • 10H₂O)

Free energy of reaction

(Co⁺² • 9) +  = (Co⁺² • 10)

By formula: (Co⁺² • 9H₂O) + H₂O = (Co⁺² • 10H₂O)

Free energy of reaction

(Ca⁺² • 8) +  = (Ca⁺² • 9)

By formula: (Ca⁺² • 8H₂O) + H₂O = (Ca⁺² • 9H₂O)

Free energy of reaction

(Ni⁺² • 10) +  = (Ni⁺² • 11)

By formula: (Ni⁺² • 10H₂O) + H₂O = (Ni⁺² • 11H₂O)

Free energy of reaction

(Ni⁺² • 11) +  = (Ni⁺² • 12)

By formula: (Ni⁺² • 11H₂O) + H₂O = (Ni⁺² • 12H₂O)

Free energy of reaction

(Ni⁺² • 12) +  = (Ni⁺² • 13)

By formula: (Ni⁺² • 12H₂O) + H₂O = (Ni⁺² • 13H₂O)

Free energy of reaction

(Mn⁺² • 10) +  = (Mn⁺² • 11)

By formula: (Mn⁺² • 10H₂O) + H₂O = (Mn⁺² • 11H₂O)

Free energy of reaction

(Sr⁺² • 10) +  = (Sr⁺² • 11)

By formula: (Sr⁺² • 10H₂O) + H₂O = (Sr⁺² • 11H₂O)

Free energy of reaction

(Sr⁺² • 11) +  = (Sr⁺² • 12)

By formula: (Sr⁺² • 11H₂O) + H₂O = (Sr⁺² • 12H₂O)

Free energy of reaction

(Ni⁺² • 9) +  = (Ni⁺² • 10)

By formula: (Ni⁺² • 9H₂O) + H₂O = (Ni⁺² • 10H₂O)

Free energy of reaction

(Mn⁺² • 9) +  = (Mn⁺² • 10)

By formula: (Mn⁺² • 9H₂O) + H₂O = (Mn⁺² • 10H₂O)

Free energy of reaction

(Mg⁺² • 9) +  = (Mg⁺² • 10)

By formula: (Mg⁺² • 9H₂O) + H₂O = (Mg⁺² • 10H₂O)

Free energy of reaction

(Sr⁺² • 9) +  = (Sr⁺² • 10)

By formula: (Sr⁺² • 9H₂O) + H₂O = (Sr⁺² • 10H₂O)

Free energy of reaction

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.

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O^- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E., A high-pressure mass spectrometric study of the binding of (CH₃)₃Sn⁺ to lewis bases in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Solvation of Halide Ions with H₂O and CH₃CN in the Gas Phase, J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051 . [all data]

Markovich, Pollack, et al., 1994
Markovich, G.; Pollack, S.; Giniger, R.; Cheshnovsky, O., Photoelectron spectroscopy of Cl-, Br-, and I- solvated in water clusters, J. Chem. Phys., 1994, 101, 11, 9344, https://doi.org/10.1063/1.467965 . [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]

Lau, Nishizawa, et al., 1981
Lau, Y.K.; Nishizawa, K.; Tse, A.; Brown, R.S.; Kebarle, P., Protonation and Site of Protonation in Anilines. Hydration and Site of Protonation after Hydration, J. Am. Chem. Soc., 1981, 103, 21, 6291, https://doi.org/10.1021/ja00411a004 . [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]

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]

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) 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]

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]

Luong, Clements, et al., 2001
Luong, A.K.; Clements, T.G.; Resat, M.S.; Continetti, R.E., Energetics and dissociative photodetachment dynamics of superoxide-water clusters: O-2(-)(H2O)(n), n=1-6, J. Chem. Phys., 2001, 114, 8, 3449-3455, https://doi.org/10.1063/1.1342221 . [all data]

Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P., Hydration of OH^- and O₂^- in the Gas Phase. Comparative Solvation of OH^- by Water and the Hydrogen Halides. Effect of Acidity, J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015 . [all data]

Parkes, 1971
Parkes, D.A., Electron Attachment and Negative Ion-Molecule Reactions in Pure O₂, Trans. Farad. Soc., 1971, 97, 711, https://doi.org/10.1039/tf9716700711 . [all data]

Blades, Ho, et al., 1996
Blades, A.T.; Ho, Y.; Kebarle, P., Hydration in the Gas Phase of the Orthophosphate Anion, (HO)2PO2-, and the Conversion of the Orthophosphate to teh Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [all data]

Keesee and Castleman Jr., 1989
Keesee, R.G.; Castleman Jr., Hydration of Monomeric Metaphosphate Anion in the Gas Phase, J. Am. Chem. Soc., 1989, 111, 25, 9015, https://doi.org/10.1021/ja00207a004 . [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]

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]

McKnight and Sawina, 1972
McKnight, L.G.; Sawina, J.M., Drift Velocities and Interactions of Cs+ Ions with Atmospheric Gases, J. Chem. Phys., 1972, 57, 12, 5156, https://doi.org/10.1063/1.1678205 . [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]

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]

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]

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]

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]

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]

Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P., A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase, J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003 . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. ₆. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH₃COO^- with Cl^-, CN^-, and SH^-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Sieck and Meot-ner, 1989
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Notes

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• 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

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