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 501 to 550)
  • 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 401 to 450, reactions 451 to 500, 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
• Options:
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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:
RCD - Robert C. Dunbar
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 501 to 550

( • ) +  = ( • 2)

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

C₅H₁₂NO₂⁺ +  = (C₅H₁₂NO₂⁺ • )

By formula: C₅H₁₂NO₂⁺ + H₂O = (C₅H₁₂NO₂⁺ • H₂O)

(C₃H₉O⁺ • 2) +  = (C₃H₉O⁺ • 3)

By formula: (C₃H₉O⁺ • 2H₂O) + H₂O = (C₃H₉O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₉O⁺ • 3) +  = (C₃H₉O⁺ • 4)

By formula: (C₃H₉O⁺ • 3H₂O) + H₂O = (C₃H₉O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₉O⁺ • 2) +  = (C₃H₉O⁺ • 3)

By formula: (C₃H₉O⁺ • 2H₂O) + H₂O = (C₃H₉O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₉O⁺ • 3) +  = (C₃H₉O⁺ • 4)

By formula: (C₃H₉O⁺ • 3H₂O) + H₂O = (C₃H₉O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₄H₁₁O₂⁺ • 2) +  = (C₄H₁₁O₂⁺ • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

(C₄H₁₁O₂⁺ • 3) +  = (C₄H₁₁O₂⁺ • 4)

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

Bond type: Hydrogen bond (positive ion to hydride)

(C₄H₁₁O₂⁺ • 4) +  = (C₄H₁₁O₂⁺ • 5)

By formula: (C₄H₁₁O₂⁺ • 4H₂O) + H₂O = (C₄H₁₁O₂⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O⁺ • 2) +  = (C₆H₁₅O⁺ • 3)

By formula: (C₆H₁₅O⁺ • 2H₂O) + H₂O = (C₆H₁₅O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O⁺ • 3) +  = (C₆H₁₅O⁺ • 4)

By formula: (C₆H₁₅O⁺ • 3H₂O) + H₂O = (C₆H₁₅O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O⁺ • 4) +  = (C₆H₁₅O⁺ • 5)

By formula: (C₆H₁₅O⁺ • 4H₂O) + H₂O = (C₆H₁₅O⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(HO^- • 7) +  = (HO^- • 8)

By formula: (HO^- • 7H₂O) + H₂O = (HO^- • 8H₂O)

(CH₃O^- • 3) +  = (CH₃O^- • 4)

By formula: (CH₃O^- • 3H₂O) + H₂O = (CH₃O^- • 4H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

C₁₃H₂₂N⁺ +  = (C₁₃H₂₂N⁺ • )

By formula: C₁₃H₂₂N⁺ + H₂O = (C₁₃H₂₂N⁺ • H₂O)

Bond type: Hydrogen bonds with steric hindrance in positive ions

(C₂H₇O⁺ • 4) +  = (C₂H₇O⁺ • 5)

By formula: (C₂H₇O⁺ • 4H₂O) + H₂O = (C₂H₇O⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₉O⁺ • 4) +  = (C₃H₉O⁺ • 5)

By formula: (C₃H₉O⁺ • 4H₂O) + H₂O = (C₃H₉O⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₉O⁺ • 5) +  = (C₃H₉O⁺ • 6)

By formula: (C₃H₉O⁺ • 5H₂O) + H₂O = (C₃H₉O⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₉O⁺ • ) +  = (C₃H₉O⁺ • 2)

By formula: (C₃H₉O⁺ • H₂O) + H₂O = (C₃H₉O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₉O⁺ • 4) +  = (C₃H₉O⁺ • 5)

By formula: (C₃H₉O⁺ • 4H₂O) + H₂O = (C₃H₉O⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₉O⁺ • 5) +  = (C₃H₉O⁺ • 6)

By formula: (C₃H₉O⁺ • 5H₂O) + H₂O = (C₃H₉O⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₄H₁₀N⁺ • ) +  = (C₄H₁₀N⁺ • 2)

By formula: (C₄H₁₀N⁺ • H₂O) + H₂O = (C₄H₁₀N⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₄H₁₁O₂⁺ • ) +  = (C₄H₁₁O₂⁺ • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

(C₄H₉O⁺ • ) +  = (C₄H₉O⁺ • 2)

By formula: (C₄H₉O⁺ • H₂O) + H₂O = (C₄H₉O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₅H₁₁O⁺ • ) +  = (C₅H₁₁O⁺ • 2)

By formula: (C₅H₁₁O⁺ • H₂O) + H₂O = (C₅H₁₁O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₅H₆N⁺ • 2) +  = (C₅H₆N⁺ • 3)

By formula: (C₅H₆N⁺ • 2H₂O) + H₂O = (C₅H₆N⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O⁺ • ) +  = (C₆H₁₅O⁺ • 2)

By formula: (C₆H₁₅O⁺ • H₂O) + H₂O = (C₆H₁₅O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O₃⁺ • ) +  = (C₆H₁₅O₃⁺ • 2)

By formula: (C₆H₁₅O₃⁺ • H₂O) + H₂O = (C₆H₁₅O₃⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₅N₂⁺ • 2) +  = (C₆H₅N₂⁺ • 3)

By formula: (C₆H₅N₂⁺ • 2H₂O) + H₂O = (C₆H₅N₂⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₅N₂⁺ • 3) +  = (C₆H₅N₂⁺ • 4)

By formula: (C₆H₅N₂⁺ • 3H₂O) + H₂O = (C₆H₅N₂⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₅N₂⁺ • ) +  = (C₆H₅N₂⁺ • 2)

By formula: (C₆H₅N₂⁺ • H₂O) + H₂O = (C₆H₅N₂⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

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

Bond type: Hydrogen bond (negative ion to hydride)

 +  =  + 2

By formula: C₇H₁₆O₃ + H₂O = C₅H₁₀O₂ + 2CH₄O

 +  =  + 2

By formula: C₈H₁₈O₃ + H₂O = C₆H₁₂O₂ + 2CH₄O

 +  =  + 2

By formula: C₈H₁₈O₃ + H₂O = C₆H₁₂O₂ + 2CH₄O

(C₂H₅F₃N⁺ • 2) +  = (C₂H₅F₃N⁺ • 3)

By formula: (C₂H₅F₃N⁺ • 2H₂O) + H₂O = (C₂H₅F₃N⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₈N⁺ • 2) +  = (C₂H₈N⁺ • 3)

By formula: (C₂H₈N⁺ • 2H₂O) + H₂O = (C₂H₈N⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₅H₆N⁺ • ) +  = (C₅H₆N⁺ • 2)

By formula: (C₅H₆N⁺ • H₂O) + H₂O = (C₅H₆N⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( • 3)

By formula: (C₈H₁₈O₄ • 2H₂O) + H₂O = (C₈H₁₈O₄ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅F₃N⁺ • ) +  = (C₂H₅F₃N⁺ • 2)

By formula: (C₂H₅F₃N⁺ • H₂O) + H₂O = (C₂H₅F₃N⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₈N⁺ • ) +  = (C₂H₈N⁺ • 2)

By formula: (C₂H₈N⁺ • H₂O) + H₂O = (C₂H₈N⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 3) +  = ( • 4)

By formula: (C₈H₁₈O₄ • 3H₂O) + H₂O = (C₈H₁₈O₄ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( • 2)

By formula: (C₈H₁₈O₄ • H₂O) + H₂O = (C₈H₁₈O₄ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (C₂H₃O₂^- • C₆H₁₁NO₃) + H₂O = (C₂H₃O₂^- • H₂O • C₆H₁₁NO₃)

Bond type: Hydrogen bond (negative ion to hydride)

(C₃H₅O⁺ • 2) +  = (C₃H₅O⁺ • 3)

By formula: (C₃H₅O⁺ • 2H₂O) + H₂O = (C₃H₅O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₅O⁺ • 3) +  = (C₃H₅O⁺ • 4)

By formula: (C₃H₅O⁺ • 3H₂O) + H₂O = (C₃H₅O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₆H₁₂NO₃⁺ +  = (C₆H₁₂NO₃⁺ • )

By formula: C₆H₁₂NO₃⁺ + H₂O = (C₆H₁₂NO₃⁺ • H₂O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

(O₂S^- • 2 • 3) +  = (O₂S^- • 3 • 3)

By formula: (O₂S^- • 2H₂O • 3O₂S) + H₂O = (O₂S^- • 3H₂O • 3O₂S)

(O₂S^- • 2 • 4) +  = (O₂S^- • 3 • 4)

By formula: (O₂S^- • 2H₂O • 4O₂S) + H₂O = (O₂S^- • 3H₂O • 4O₂S)

(O₂S^- • 5 • 2) +  = (O₂S^- • 6 • 2)

By formula: (O₂S^- • 5O₂S • 2H₂O) + O₂S = (O₂S^- • 6O₂S • 2H₂O)

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.

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]

Meot-Ner and Field, 1974
Meot-Ner, (Mautner); Field, F.H., Solvation and Association of Protonated Gaseous Amino Acids, J. Am. Chem. Soc., 1974, 96, 10, 3168, https://doi.org/10.1021/ja00817a024 . [all data]

Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K., Gas-Phase Hydration Reactions of Protonated Alcohols. Energetics and Bulk Hydration of Cluster Ions, J. Am. Chem. Soc., 1986, 108, 19, 5683, https://doi.org/10.1021/ja00279a004 . [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) 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]

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]

Meot-Ner M. and Sieck, 1983
Meot-Ner M.; Sieck, L.W., The Ionic Hydrogen Bond. 1. Sterically Hindered Bonds. Solvation and Clustering of Sterically Hindered Amines and Pyridines, J. Am. Chem. Soc., 1983, 105, 10, 2956, https://doi.org/10.1021/ja00348a005 . [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]

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]

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]

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]

Lau and Kebarle, 1981
Lau, Y.K.; Kebarle, P., Hydrogen Bonding Solvent Effect on the Basicity of Primary Amines CH3NH2, C2H5NH2, AND CF3CH2NH2, Can. J. Chem., 1981, 59, 1, 151, https://doi.org/10.1139/v81-024 . [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]

Hiraoka and Kebarle, 1977
Hiraoka, K.; Kebarle, P., Condensation reactions involving carbonium ions in the gas phase synthesis of protonated acids in gaseous methane containing carbon monoxide and water vapor, J. Am. Chem. Soc., 1977, 99, 366. [all data]

Meot-Ner, 1984
Meot-Ner, (Mautner), The Ionic Hydrogen Bond. 4. Intramolecular and Multiple Bonds. Proton Affinities, Hydration and Complexes of Amides and Amino Acid Derivatives, J. Am. Chem. Soc., 1984, 106, 2, 278, https://doi.org/10.1021/ja00314a003 . [all data]

Vacher, Leduc, et al., 1994
Vacher, J.R.; Leduc, E.; Fitaire, M., Stabilities of Anionic Mixed Clusters of Sulfur Dioxide and Water, Int. J. Mass Spectrom. Ion Proc., 1994, 135, 2-3, 139, https://doi.org/10.1016/0168-1176(94)03985-2 . [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:
  

  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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