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 601 to 650)
  • 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 551 to 600, 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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Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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 601 to 650

C₃H₉O⁺ +  = (C₃H₉O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₄H₁₀N⁺ +  = (C₄H₁₀N⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₄H₁₁O₂⁺ +  = (C₄H₁₁O₂⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₄H₈N⁺ +  = (C₄H₈N⁺ • )

By formula: C₄H₈N⁺ + H₂O = (C₄H₈N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₄H₈N⁺ +  = (C₄H₈N⁺ • )

By formula: C₄H₈N⁺ + H₂O = (C₄H₈N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₄H₉O⁺ +  = (C₄H₉O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₆H₁₅O⁺ +  = (C₆H₁₅O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₆H₁₅O₃⁺ +  = (C₆H₁₅O₃⁺ • )

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

C₆H₅N₂⁺ +  = (C₆H₅N₂⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₆H₈N⁺ +  = (C₆H₈N⁺ • )

By formula: C₆H₈N⁺ + H₂O = (C₆H₈N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₇H₁₀N⁺ +  = (C₇H₁₀N⁺ • )

By formula: C₇H₁₀N⁺ + H₂O = (C₇H₁₀N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₇H₁₁N₂⁺ +  = (C₇H₁₁N₂⁺ • )

By formula: C₇H₁₁N₂⁺ + H₂O = (C₇H₁₁N₂⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₇H₆N⁺ +  = (C₇H₆N⁺ • )

By formula: C₇H₆N⁺ + H₂O = (C₇H₆N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₈H₁₂N⁺ +  = (C₈H₁₂N⁺ • )

By formula: C₈H₁₂N⁺ + H₂O = (C₈H₁₂N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₉H₁₄N⁺ +  = (C₉H₁₄N⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: C₆H₅O^- + H₂O = (C₆H₅O^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

( • 2) +  = ( • 3)

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

Enthalpy of reaction

( • 3) +  = ( • 4)

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

Enthalpy of reaction

( • ) +  = ( • 2)

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

Enthalpy of reaction

C₂H₅F₃N⁺ +  = (C₂H₅F₃N⁺ • )

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

 +  = ( • )

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

Bond type: Hydrogen bond (positive ion to hydride)

 +  =  + 

By formula: C₄H₇NO₂ + H₂O = C₂H₅NO + C₂H₄O₂

(O₂S^- • 2) +  = (O₂S^- •  • 2)

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

(O₂S^- • 3) +  = (O₂S^- •  • 3)

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

(O₂S^- • 4) +  = (O₂S^- •  • 4)

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

(O₂S^- • 5) +  = (O₂S^- •  • 5)

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

(O₂S^- • ) +  = (O₂S^- •  • )

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

C₂H₅O⁺ +  = (C₂H₅O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₂H₅O₂⁺ +  = (C₂H₅O₂⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₃H₄N₂⁺ +  = (C₃H₄N₂⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₃H₇O⁺ +  = (C₃H₇O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₅H₉O⁺ +  = (C₅H₉O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₇H₁₁O⁺ +  = (C₇H₁₁O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₈H₉O +  = (C₈H₉O • )

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( • 3)

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

Enthalpy of reaction

( • 14) +  = ( • 15)

By formula: (Br^- • 14H₂O) + H₂O = (Br^- • 15H₂O)

 +  =  + 

By formula: C₂H₃IO + H₂O = HI + C₂H₄O₂

( • ) +  = ( • 2)

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

Enthalpy of reaction

( • ) +  = ( • 2)

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

Enthalpy of reaction

( • ) +  = ( • 2)

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

Enthalpy of reaction

( • ) +  = ( • 2)

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

Enthalpy of reaction

( • ) +  = ( • 2)

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

Enthalpy of reaction

( • ) +  = ( • 2)

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

Enthalpy of reaction

( • 10) +  = ( • 11)

By formula: (Br^- • 10H₂O) + H₂O = (Br^- • 11H₂O)

( • 11) +  = ( • 12)

By formula: (Br^- • 11H₂O) + H₂O = (Br^- • 12H₂O)

( • 12) +  = ( • 13)

By formula: (Br^- • 12H₂O) + H₂O = (Br^- • 13H₂O)

( • 13) +  = ( • 14)

By formula: (Br^- • 13H₂O) + H₂O = (Br^- • 14H₂O)

( • 15) +  = ( • 16)

By formula: (Br^- • 15H₂O) + H₂O = (Br^- • 16H₂O)

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.

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]

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 (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]

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]

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]

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]

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]

Andersen, Muntean, et al., 2000
Andersen, A.; Muntean, F.; Walter, D.; Rue, C.; Armentrout, P.B., Collision-Induced Dissociation and Theoretical Studies of Mg+ Complexes with CO, CO2, NH3, CH4, CH3OH, and C6H6, J. Phys. Chem. A, 2000, 104, 4, 692, https://doi.org/10.1021/jp993031t . [all data]

Dalleska, Tjelta, et al., 1994
Dalleska, N.F.; Tjelta, B.L.; Armentrout, P.B., Sequential Bond Energies of Water to Na+ (3s0), Mg+ (3s1), and Al+ (3s2), J. Phys. Chem., 1994, 98, 15, 4191, https://doi.org/10.1021/j100066a045 . [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]

Hill and Wadso, 1968
Hill, J.O.; Wadso, I., Some thermochemical properties of N,N,N-triacetylammonia, Acta Chem. Scand., 1968, 22, 1590-1594. [all data]

Wadso, 1965
Wadso, I., Thermochemical properties of diacetimide, N-butyldiacetimide and N-phenyldiacetimide, Acta Chem. Scand., 1965, 19, 1079-1087. [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]

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]

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]

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]

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]

Devore and O'Neal, 1969
Devore, J.A.; O'Neal, H.E., Heats of formation of the acetyl halides and of the acetyl radical, J. Phys. Chem., 1969, 73, 2644-2648. [all data]

Carson and Skinner, 1949
Carson, A.S.; Skinner, H.A., 201. Carbon-halogen bond energies in the acetyl halides, J. Chem. Soc., 1949, 936-939. [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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