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 551 to 600)
  • 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 501 to 550, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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 551 to 600

(O₂S^- • 6 • 2) +  = (O₂S^- • 7 • 2)

By formula: (O₂S^- • 6O₂S • 2H₂O) + O₂S = (O₂S^- • 7O₂S • 2H₂O)

( • 3) +  = ( • 4)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 4) +  = ( • 5)

By formula: (CH₃O⁺ • 4H₂O) + H₂O = (CH₃O⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 6) +  = ( • 7)

By formula: (CH₃O⁺ • 6H₂O) + H₂O = (CH₃O⁺ • 7H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

 +  =  + 2

By formula: C₉H₂₀O₂ + H₂O = C₇H₁₄O + 2CH₄O

(O₂S^- •  • 3) +  = (O₂S^- • 2 • 3)

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

(O₂S^- •  • 4) +  = (O₂S^- • 2 • 4)

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

( • 4) +  = ( •  • 4)

By formula: (H₃O⁺ • 4H₂O) + O₂S = (H₃O⁺ • O₂S • 4H₂O)

Free energy of reaction

( • 5) +  = ( • 6)

By formula: (CH₃O⁺ • 5H₂O) + H₂O = (CH₃O⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • 2) +  = (C₂H₄N⁺ • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • 3) +  = (C₂H₄N⁺ • 4)

By formula: (C₂H₄N⁺ • 3H₂O) + H₂O = (C₂H₄N⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • 4) +  = (C₂H₄N⁺ • 5)

By formula: (C₂H₄N⁺ • 4H₂O) + H₂O = (C₂H₄N⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • 5) +  = (C₂H₄N⁺ • 6)

By formula: (C₂H₄N⁺ • 5H₂O) + H₂O = (C₂H₄N⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O⁺ • 2) +  = (C₂H₅O⁺ • 3)

By formula: (C₂H₅O⁺ • 2H₂O) + H₂O = (C₂H₅O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O⁺ • 3) +  = (C₂H₅O⁺ • 4)

By formula: (C₂H₅O⁺ • 3H₂O) + H₂O = (C₂H₅O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O⁺ • 2) +  = (C₂H₅O⁺ • 3)

By formula: (C₂H₅O⁺ • 2H₂O) + H₂O = (C₂H₅O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O⁺ • 3) +  = (C₂H₅O⁺ • 4)

By formula: (C₂H₅O⁺ • 3H₂O) + H₂O = (C₂H₅O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O₂⁺ • 2) +  = (C₂H₅O₂⁺ • 3)

By formula: (C₂H₅O₂⁺ • 2H₂O) + H₂O = (C₂H₅O₂⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₈N⁺ • 3) +  = (C₂H₈N⁺ • 4)

By formula: (C₂H₈N⁺ • 3H₂O) + H₂O = (C₂H₈N⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₄N₂⁺ • 2) +  = (C₃H₄N₂⁺ • 3)

By formula: (C₃H₄N₂⁺ • 2H₂O) + H₂O = (C₃H₄N₂⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₇O⁺ • 2) +  = (C₃H₇O⁺ • 3)

By formula: (C₃H₇O⁺ • 2H₂O) + H₂O = (C₃H₇O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₇O⁺ • 3) +  = (C₃H₇O⁺ • 4)

By formula: (C₃H₇O⁺ • 3H₂O) + H₂O = (C₃H₇O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₇O⁺ • 4) +  = (C₃H₇O⁺ • 5)

By formula: (C₃H₇O⁺ • 4H₂O) + H₂O = (C₃H₇O⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₅H₉O⁺ • 2) +  = (C₅H₉O⁺ • 3)

By formula: (C₅H₉O⁺ • 2H₂O) + H₂O = (C₅H₉O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(CH₆N⁺ • 3) +  = (CH₆N⁺ • 4)

By formula: (CH₆N⁺ • 3H₂O) + H₂O = (CH₆N⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(O₂S^- • 6 • ) +  = (O₂S^- • 7 • )

By formula: (O₂S^- • 6O₂S • H₂O) + O₂S = (O₂S^- • 7O₂S • H₂O)

( • ) +  = ( •  • )

By formula: (NO₃^- • O₂S) + H₂O = (NO₃^- • H₂O • O₂S)

Free energy of reaction

( • ) +  = ( •  • )

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

Free energy of reaction

(C₂H₅O⁺ • 4) +  = (C₂H₅O⁺ • 5)

By formula: (C₂H₅O⁺ • 4H₂O) + H₂O = (C₂H₅O⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O⁺ • 5) +  = (C₂H₅O⁺ • 6)

By formula: (C₂H₅O⁺ • 5H₂O) + H₂O = (C₂H₅O⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O⁺ • 6) +  = (C₂H₅O⁺ • 7)

By formula: (C₂H₅O⁺ • 6H₂O) + H₂O = (C₂H₅O⁺ • 7H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O⁺ • ) +  = (C₂H₅O⁺ • 2)

By formula: (C₂H₅O⁺ • H₂O) + H₂O = (C₂H₅O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O⁺ • ) +  = (C₂H₅O⁺ • 2)

By formula: (C₂H₅O⁺ • H₂O) + H₂O = (C₂H₅O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₅O₂⁺ • ) +  = (C₂H₅O₂⁺ • 2)

By formula: (C₂H₅O₂⁺ • H₂O) + H₂O = (C₂H₅O₂⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₈N⁺ • 4) +  = (C₂H₈N⁺ • 5)

By formula: (C₂H₈N⁺ • 4H₂O) + H₂O = (C₂H₈N⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₁₀N⁺ • 3) +  = (C₃H₁₀N⁺ • 4)

By formula: (C₃H₁₀N⁺ • 3H₂O) + H₂O = (C₃H₁₀N⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₄N₂⁺ • ) +  = (C₃H₄N₂⁺ • 2)

By formula: (C₃H₄N₂⁺ • H₂O) + H₂O = (C₃H₄N₂⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₃H₇O⁺ • ) +  = (C₃H₇O⁺ • 2)

By formula: (C₃H₇O⁺ • H₂O) + H₂O = (C₃H₇O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₅H₉O⁺ • ) +  = (C₅H₉O⁺ • 2)

By formula: (C₅H₉O⁺ • H₂O) + H₂O = (C₅H₉O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₇H₁₁O⁺ • 2) +  = (C₇H₁₁O⁺ • 3)

By formula: (C₇H₁₁O⁺ • 2H₂O) + H₂O = (C₇H₁₁O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₇H₁₁O⁺ • ) +  = (C₇H₁₁O⁺ • 2)

By formula: (C₇H₁₁O⁺ • H₂O) + H₂O = (C₇H₁₁O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₈H₉O • ) +  = (C₈H₉O • 2)

By formula: (C₈H₉O • H₂O) + H₂O = (C₈H₉O • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

HO₄S^- +  = (HO₄S^- • )

By formula: HO₄S^- + H₂O = (HO₄S^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

(C₄H₁₀NO⁺ • 2) +  = (C₄H₁₀NO⁺ • 3)

By formula: (C₄H₁₀NO⁺ • 2H₂O) + H₂O = (C₄H₁₀NO⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

HCaO⁺ +  = (HCaO⁺ • )

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

HOSr⁺ +  = (HOSr⁺ • )

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

(C₂H₇O⁺ • 5) +  = (C₂H₇O⁺ • 6)

By formula: (C₂H₇O⁺ • 5H₂O) + H₂O = (C₂H₇O⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₁₁H₁₈N⁺ +  = (C₁₁H₁₈N⁺ • )

By formula: C₁₁H₁₈N⁺ + H₂O = (C₁₁H₁₈N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₁₂H₂₈N⁺ +  = (C₁₂H₂₈N⁺ • )

By formula: C₁₂H₂₈N⁺ + H₂O = (C₁₂H₂₈N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₃H₂N⁺ +  = (C₃H₂N⁺ • )

By formula: C₃H₂N⁺ + H₂O = (C₃H₂N⁺ • H₂O)

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.

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]

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]

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]

Wiberg and Squires, 1979
Wiberg, K.B.; Squires, R.R., Thermodynamics of hydrolysis aliphatic ketals. An entropy component of steric effects, J. Am. Chem. Soc., 1979, 101, 5512-5515. [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), 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]

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, 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]

Burdett and Hayhurst, 1982
Burdett, N.A.; Hayhurst, A.N., Hydration of gas phase ions and the measurement of boundary layer cooling during flame sampling into a mass spectrometer., J. Chem. Soc. Faraday Trans. 1, 1982, 78, 2997. [all data]

Kebarle, 1977
Kebarle, P., Ion Thermochemistry and Solvation from Gas Phase Ion Equilibria, Ann. Rev. Phys. Chem., 1977, 28, 1, 445, https://doi.org/10.1146/annurev.pc.28.100177.002305 . [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]

Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites, J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020 . [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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