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 451 to 500)
  • 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 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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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
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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 451 to 500

(CH₅O⁺ • 2 • ) +  = (CH₅O⁺ • 3 • )

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

Bond type: Hydrogen bond (positive ion to hydride)

(CH₅O⁺ • 2) +  = (CH₅O⁺ •  • 2)

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

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

(CH₅O⁺ • 3 • ) +  = (CH₅O⁺ • 4 • )

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

Bond type: Hydrogen bond (positive ion to hydride)

(CH₅O⁺ •  • 3) +  = (CH₅O⁺ • 2 • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

(CN^- • 2 • ) +  = (CN^- • 3 • )

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

( • 2) +  = ( •  • 2)

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

( •  • ) +  = ( • 2 • )

By formula: (Cl^- • H₂O • CH₄O) + H₂O = (Cl^- • 2H₂O • CH₄O)

Bond type: Hydrogen bond (negative ion to hydride)

(CH₃O^- •  • ) +  = (CH₃O^- • 2 • )

By formula: (CH₃O^- • H₂O • CH₄O) + H₂O = (CH₃O^- • 2H₂O • CH₄O)

Bond type: Hydrogen bond (negative ion to hydride)

(CH₂N⁺ • ) +  = (CH₂N⁺ •  • )

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

Bond type: Hydrogen bond (positive ion to hydride)

 + 2 =  + 4

By formula: CF₄ + 2H₂O = CO₂ + 4HF

(C₂H₄N⁺ • ) +  = (C₂H₄N⁺ •  • )

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( •  • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( •  • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 3) +  = ( •  • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 3) +  = ( •  • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

(C₁₂H₃₀N₂ • 4) +  = (C₁₂H₃₀N₂ • 5)

By formula: (C₁₂H₃₀N₂ • 4H₂O) + H₂O = (C₁₂H₃₀N₂ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(C₁₂H₃₀N₂ • 5) +  = (C₁₂H₃₀N₂ • 6)

By formula: (C₁₂H₃₀N₂ • 5H₂O) + H₂O = (C₁₂H₃₀N₂ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₂O • O₂S) + H₂O = (H₄N⁺ • 3H₂O • O₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(CH₂N⁺ • 2) +  = (CH₂N⁺ • 3)

By formula: (CH₂N⁺ • 2H₂O) + H₂O = (CH₂N⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₃H₉S⁺ +  = (C₃H₉S⁺ • )

By formula: C₃H₉S⁺ + H₂O = (C₃H₉S⁺ • H₂O)

Free energy of reaction

C₃H₉S⁺ +  = (C₃H₉S⁺ • )

By formula: C₃H₉S⁺ + H₂O = (C₃H₉S⁺ • H₂O)

Free energy of reaction

C₃H₉S⁺ +  = (C₃H₉S⁺ • )

By formula: C₃H₉S⁺ + H₂O = (C₃H₉S⁺ • H₂O)

Free energy of reaction

( • ) +  = ( •  • )

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

Bond type: Hydrogen bond (positive ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₂O • O₂S) + H₂O = (H₄N⁺ • 2H₂O • O₂S)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

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

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (Co⁺ • H₂O) + H₂ = (Co⁺ • H₂ • H₂O)

Enthalpy of reaction

(CH₂N⁺ • ) +  = (CH₂N⁺ • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

CO₃^- +  = (CO₃^- • )

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

Free energy of reaction

(C₂H₇O⁺ • 3) +  = (C₂H₇O⁺ • 4)

By formula: (C₂H₇O⁺ • 3H₂O) + H₂O = (C₂H₇O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₇O⁺ • ) +  = (C₂H₇O⁺ • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₂NO₃⁺ • 2) +  = (C₆H₁₂NO₃⁺ • 3)

By formula: (C₆H₁₂NO₃⁺ • 2H₂O) + H₂O = (C₆H₁₂NO₃⁺ • 3H₂O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

(C₆H₁₂NO₃⁺ • ) +  = (C₆H₁₂NO₃⁺ • 2)

By formula: (C₆H₁₂NO₃⁺ • H₂O) + H₂O = (C₆H₁₂NO₃⁺ • 2H₂O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

(C₄H₁₁O₂⁺ • ) +  = (C₄H₁₁O₂⁺ •  • )

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

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O₃⁺ • ) +  = (C₆H₁₅O₃⁺ •  • )

By formula: (C₆H₁₅O₃⁺ • C₆H₁₄O₃) + H₂O = (C₆H₁₅O₃⁺ • H₂O • C₆H₁₄O₃)

Bond type: Hydrogen bond (positive ion to hydride)

(CH₅O⁺ • 3) +  = (CH₅O⁺ •  • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

(CH₅O⁺ • 4) +  = (CH₅O⁺ •  • 4)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (Co⁺ • H₂O) + CH₄ = (Co⁺ • CH₄ • H₂O)

Enthalpy of reaction

(CH₃O^- • 2) +  = (CH₃O^- •  • 2)

By formula: (CH₃O^- • 2CH₄O) + H₂O = (CH₃O^- • H₂O • 2CH₄O)

Bond type: Hydrogen bond (negative ion to hydride)

C₁₀H₂₁O₅⁺ +  = (C₁₀H₂₁O₅⁺ • )

By formula: C₁₀H₂₁O₅⁺ + H₂O = (C₁₀H₂₁O₅⁺ • H₂O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₁₂H₂₅O₆⁺ +  = (C₁₂H₂₅O₆⁺ • )

By formula: C₁₂H₂₅O₆⁺ + H₂O = (C₁₂H₂₅O₆⁺ • H₂O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

(C₄H₉⁺ • 3) +  = (C₄H₉⁺ • 4)

By formula: (C₄H₉⁺ • 3H₂O) + H₂O = (C₄H₉⁺ • 4H₂O)

(CH₅O⁺ • ) +  = (CH₅O⁺ •  • )

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

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (Cl^- • CH₄O) + H₂O = (Cl^- • H₂O • CH₄O)

Bond type: Hydrogen bond (negative ion to hydride)

(CH₃O^- • ) +  = (CH₃O^- •  • )

By formula: (CH₃O^- • CH₄O) + H₂O = (CH₃O^- • H₂O • CH₄O)

Bond type: Hydrogen bond (negative ion to hydride)

C₃H₅O⁺ +  = (C₃H₅O⁺ • )

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

(C₃H₁₀N⁺ • 2) +  = (C₃H₁₀N⁺ •  • 2)

By formula: (C₃H₁₀N⁺ • 2C₃H₉N) + H₂O = (C₃H₁₀N⁺ • H₂O • 2C₃H₉N)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (Cl^- • 2CH₄O) + H₂O = (Cl^- • H₂O • 2CH₄O)

Bond type: Hydrogen bond (negative ion to hydride)

( • 5) +  = ( • 6)

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

 +  = 2 + 

By formula: C₅H₁₂O₃ + H₂O = 2CH₄O + C₃H₆O₂

(C₄H₉⁺ • 2) +  = (C₄H₉⁺ • 3)

By formula: (C₄H₉⁺ • 2H₂O) + H₂O = (C₄H₉⁺ • 3H₂O)

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(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 (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]

Evans and Keesee, 1991
Evans, D.H.; Keesee, R.G., Thermodynamics of Gas-Phase Mixed-Solvent Cluster Ions - Water and Methanol on K+ and Cl- and Comparison to Liquid Solutions, J. Phys. Chem., 1991, 95, 9, 3558, https://doi.org/10.1021/j100162a024 . [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]

Good, Scott, et al., 1956
Good, W.D.; Scott, D.W.; Waddington, G., Combustion calorimetry of organic fluorine compounds by a rotating-bomb method, J. Phys. Chem., 1956, 60, 1080-1089. [all data]

Scott, Good, et al., 1955
Scott, D.W.; Good, W.D.; Waddington, G., Heat of formation of tetrafluoromethane from combustion calorimetry of polytetrafluoroethylene, J. Am. Chem. Soc., 1955, 77, 245-246. [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]

Blades, Klassen, et al., 1996
Blades, A.T.; Klassen, J.S.; Kebarle, P., Determination of Ion-Solvent Equilibria in the Gas Phase. Hydration of Diprotonated Diamines and Bis(trimethylammonium) Alkanes, J. Am. Chem. Soc., 1996, 118, 49, 12437, https://doi.org/10.1021/ja962641t . [all data]

Klassen, Blades, et al., 1995
Klassen, J.S.; Blades, A.T.; Kebarle, P., Determinations of Ion-Molecule Equilibria Involving Ions Produced by Electrospray. Hydration of Protonated Amines, Diamines, and Some Small Peptides, J. Phys. Chem., 1995, 99, 42, 15509, https://doi.org/10.1021/j100042a027 . [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) 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]

Kemper, Bushnell, et al., 1993
Kemper, P.R.; Bushnell, J.; Von Koppen, P.; Bowers, M.T., Binding Energies of Co+(H2/CH4/C2H6)1,2,3 Clusters, J. Phys. Chem., 1993, 97, 9, 1810, https://doi.org/10.1021/j100111a016 . [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]

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, 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]

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]

Sharma and Kebarle, 1984
Sharma, R.B.; Kebarle, P., Stabilites and Hydrogen Bonding in Complexes of H3O+ and CH3OH2+ with Crown Ethers, from Measurements of Gas - Phase Ion - Molecule Equilibria, J. Am. Chem. Soc., 1984, 106, 14, 3913, https://doi.org/10.1021/ja00326a005 . [all data]

Hiraoka and Kebarle, 1977
Hiraoka, K.; Kebarle, P., Condensation Reactions Involving Carbonium Ions and Lewis Bases in the Gas Phase. Hydration of the t - Butyl Cation, J. Am. Chem., 1977, 99, 2, 360, https://doi.org/10.1021/ja00444a008 . [all data]

Davidson, Meza-Hojer, et al., 1979
Davidson, W.R.; Meza-Hojer, S.; Kebarle, P., Gas Phase Ion Equilibria: RCO+ + OH2 ---> RC(OH)2+; Heats of Formation of Acylium Ions RCO+ and Protonated Acids RC(OH)2+; Gas Phase Catalysis of Proton Shift RC(OH)2+ ---> RCO(OH2)+, Can. J. Chem., 1979, 57, 24, 3205, https://doi.org/10.1139/v79-525 . [all data]

El-Shall, Daly, et al., 1992
El-Shall, M.S.; Daly, G.M.; Gao, J.; Meot-Ner (Mautner), M.; Sieck, L.W., How Sensitive are Cluster Compositions to Energetics? A Joint Beam Expansion/ Thermochemical Study of Water - Methanol - Trimethylamine Clusters, J. Phys. Chem., 1992, 96, 2, 507, https://doi.org/10.1021/j100181a002 . [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]

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 and Squires, 1979
Wiberg, K.B.; Squires, R.R., A microprocessor-controlled system for precise measurement of temperature changes. Determination of the enthalpies of hydrolysis of some polyoxygenated hydrocarbons, J. Chem. Thermodyn., 1979, 11, 773-786. [all data]

Hiraoka and Kebarle, 1977, 2
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]

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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