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 351 to 400)
  • 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 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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Data at NIST subscription sites:

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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:
MS - José A. Martinho Simões
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 351 to 400

C₂₁H₄₄O₃P₂W (solution) +  (solution) = C₂₁H₄₄O₄P₂W (solution) +  (g)

By formula: C₂₁H₄₄O₃P₂W (solution) + H₂O (solution) = C₂₁H₄₄O₄P₂W (solution) + H₂ (g)

( • 2) +  = ( •  • 2)

By formula: (K⁺ • 2H₂O) + C₆H₆ = (K⁺ • C₆H₆ • 2H₂O)

( • 3) +  = ( •  • 3)

By formula: (K⁺ • 3H₂O) + C₆H₆ = (K⁺ • C₆H₆ • 3H₂O)

( • ) +  = ( •  • )

By formula: (K⁺ • H₂O) + C₆H₆ = (K⁺ • C₆H₆ • H₂O)

CF₃O₃S^- +  = (CF₃O₃S^- • )

By formula: CF₃O₃S^- + H₂O = (CF₃O₃S^- • H₂O)

CH₃O₃S^- +  = (CH₃O₃S^- • )

By formula: CH₃O₃S^- + H₂O = (CH₃O₃S^- • H₂O)

( • ) +  = ( •  • )

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

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

ClO₃^- +  = (ClO₃^- • )

By formula: ClO₃^- + H₂O = (ClO₃^- • H₂O)

C₂HCl₂O₂^- +  = (C₂HCl₂O₂^- • )

By formula: C₂HCl₂O₂^- + H₂O = (C₂HCl₂O₂^- • H₂O)

(CN^- • 2) +  = (CN^- •  • 2)

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

(CN^- • ) +  = (CN^- •  • )

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

 +  =  + 

By formula: H₂O + C₇H₅ClO = C₇H₆O₂ + HCl

C₇H₁₅O₂⁺ +  = (C₇H₁₅O₂⁺ • )

By formula: C₇H₁₅O₂⁺ + H₂O = (C₇H₁₅O₂⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

C₉H₁₁O₂⁺ +  = (C₉H₁₁O₂⁺ • )

By formula: C₉H₁₁O₂⁺ + H₂O = (C₉H₁₁O₂⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = 2

By formula: C₄H₆O₃ + H₂O = 2C₂H₄O₂

C₂H₅O⁺ +  = (C₂H₅O⁺ • )

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

Bond type: Hydrogen bond (positive ion to hydride)

C₃H₂NO₂^- +  = (C₃H₂NO₂^- • )

By formula: C₃H₂NO₂^- + H₂O = (C₃H₂NO₂^- • H₂O)

CAS Reg. No. 14357-05-2 +  = C₂H₂Cl₃O₃^-

By formula: CAS Reg. No. 14357-05-2 + H₂O = C₂H₂Cl₃O₃^-

CAS Reg. No. 15056-35-6 +  = H₂IO₅^-

By formula: CAS Reg. No. 15056-35-6 + H₂O = H₂IO₅^-

CAS Reg. No. 15454-31-6 +  = H₂IO₄^-

By formula: CAS Reg. No. 15454-31-6 + H₂O = H₂IO₄^-

CAS Reg. No. 15460-71-6 +  = H₄O₄P^-

By formula: CAS Reg. No. 15460-71-6 + H₂O = H₄O₄P^-

CAS Reg. No. 18610-40-7 +  = C₄H₅O₅^-

By formula: CAS Reg. No. 18610-40-7 + H₂O = C₄H₅O₅^-

CAS Reg. No. 24708-26-7 +  = C₇H₁₇O₄S^-

By formula: CAS Reg. No. 24708-26-7 + H₂O = C₇H₁₇O₄S^-

CAS Reg. No. 35473-42-8 +  = H₂BrO₄^-

By formula: CAS Reg. No. 35473-42-8 + H₂O = H₂BrO₄^-

C₈H₅O₄^-2 +  = C₈H₇O₅^-

By formula: C₈H₅O₄^-2 + H₂O = C₈H₇O₅^-

CAS Reg. No. 48028-76-8 +  = C₂H₇O₅S^-

By formula: CAS Reg. No. 48028-76-8 + H₂O = C₂H₇O₅S^-

CAS Reg. No. 49745-25-7 +  = C₂H₅O₄^-

By formula: CAS Reg. No. 49745-25-7 + H₂O = C₂H₅O₄^-

CAS Reg. No. 89713-32-6 +  = H₄O₃P^-

By formula: CAS Reg. No. 89713-32-6 + H₂O = H₄O₃P^-

 +  = ( • )

By formula: CH₃S^- + H₂O = (CH₃S^- • H₂O)

CAS Reg. No. 3198-32-1 +  = C₆H₇O₄S^-

By formula: CAS Reg. No. 3198-32-1 + H₂O = C₆H₇O₄S^-

(C₆H₅NO₂^- • ) +  = (C₆H₅NO₂^- • 2)

By formula: (C₆H₅NO₂^- • H₂O) + H₂O = (C₆H₅NO₂^- • 2H₂O)

(CN^- •  • 2) +  = (CN^- • 2 • 2)

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

Free energy of reaction

C₂H₅O₄^- + 2 = C₂H₇O₅^-

By formula: C₂H₅O₄^- + 2H₂O = C₂H₇O₅^-

H₄O₃P^- + 2 = H₆O₄P^-

By formula: H₄O₃P^- + 2H₂O = H₆O₄P^-

H₄O₄P^- + 2 = H₆O₅P^-

By formula: H₄O₄P^- + 2H₂O = H₆O₅P^-

C₇H₁₇O₄S^- + 2 = C₇H₁₉O₅S^-

By formula: C₇H₁₇O₄S^- + 2H₂O = C₇H₁₉O₅S^-

C₆H₇O₄S^- + 2 = C₆H₉O₅S^-

By formula: C₆H₇O₄S^- + 2H₂O = C₆H₉O₅S^-

C₂H₇O₅S^- + 2 = C₂H₉O₆S^-

By formula: C₂H₇O₅S^- + 2H₂O = C₂H₉O₆S^-

H₂BrO₄^- + 2 = H₄BrO₅^-

By formula: H₂BrO₄^- + 2H₂O = H₄BrO₅^-

H₂IO₄^- + 2 = H₄IO₅^-

By formula: H₂IO₄^- + 2H₂O = H₄IO₅^-

C₂H₇O₅^- + 3 = C₂H₉O₆^-

By formula: C₂H₇O₅^- + 3H₂O = C₂H₉O₆^-

H₆O₄P^- + 3 = H₈O₅P^-

By formula: H₆O₄P^- + 3H₂O = H₈O₅P^-

H₆O₅P^- + 3 = H₈O₆P^-

By formula: H₆O₅P^- + 3H₂O = H₈O₆P^-

H₄IO₅^- + 3 = H₆IO₆^-

By formula: H₄IO₅^- + 3H₂O = H₆IO₆^-

C₃H₇⁺ +  = (C₃H₇⁺ • )

By formula: C₃H₇⁺ + H₂O = (C₃H₇⁺ • H₂O)

(CN^- • 2 • ) +  = (CN^- • 3 • )

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

Free energy of reaction

C₁₆H₃₄OP₂Ru (solution) +  (solution) = C₁₆H₃₄P₂Ru (solution) +  (solution)

By formula: C₁₆H₃₄OP₂Ru (solution) + H₂ (solution) = C₁₆H₃₄P₂Ru (solution) + H₂O (solution)

( • 2 • 3) +  = ( • 3 • 3)

By formula: (H₃O⁺ • 2N₂ • 3H₂O) + N₂ = (H₃O⁺ • 3N₂ • 3H₂O)

(C₂H₇O⁺ •  • ) +  = (C₂H₇O⁺ • 2 • )

By formula: (C₂H₇O⁺ • C₂H₆O • H₂O) + C₂H₆O = (C₂H₇O⁺ • 2C₂H₆O • H₂O)

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

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

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

Bond type: Hydrogen bonds between protonated and neutral organics

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.

Kubas, Burns, et al., 1992
Kubas, G.J.; Burns, C.J.; Khalsa, G.R.K.; van der Sluys, L.S.; Kiss, G.; Hoff, C.D., Organometallics, 1992, 11, 3390. [all data]

Sunner, Nishizawa, et al., 1981
Sunner, J.; Nishizawa, K.; Kebarle, P., Ion - Solvent Molecule Interactions in the Gas Phase. Potassium Ion and Benzene, J. Phys. Chem., 1981, 85, 13, 1814, https://doi.org/10.1021/j150613a011 . [all data]

Searles and Kebarle, 1969
Searles, S.K.; Kebarle, P., Hydration of the Potassium Ion in the Gas Phase: Enthalpies and Entropies of Hydration Reactions K+(H2O)n-1 + H2O = K+(H2O)n for n=1 to n=6, Can. J. Chem., 1969, 47, 14, 2619, https://doi.org/10.1139/v69-432 . [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]

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) 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]

Moselhy and Pritchard, 1975
Moselhy, G.M.; Pritchard, H.O., The thermochemistry of the chloro-benzoyl chlorides, J. Chem. Thermodyn., 1975, 7, 977-982. [all data]

Carson, Pritchard, et al., 1950
Carson, A.S.; Pritchard, H.O.; Skinner, H.A., The heats of hydrolysis of the benzoyl halides, J. Chem. Soc., 1950, 656-659. [all data]

Davies, Dunning, et al., 1972
Davies, J.V.; Dunning, B.K.; Pritchard, H.O., The enthalpy of formation of benzoyl chloride, J. Chem. Thermodyn., 1972, 4, 731-737. [all data]

Field, 1969
Field, F.H., Chemical Ionization Mass Spectrometry. IX. Temperature and Pressure Studies with Benzyl Acetate and t-Amyl Acetate, J. Am. Chem. Soc., 1969, 91, 11, 2827, https://doi.org/10.1021/ja01039a002 . [all data]

Becker and Maelicke, 1967
Becker, F.; Maelicke, A., Thermokinetische Messungen nach dem Prinzip der Wärmefluβkalorimetrie, Z. Phys. Chem. (Neue Folge), 1967, 55, 280-295. [all data]

Wadso, 1962
Wadso, I., Heats of aminolysis and hydrolysis of some N-acetyl compounds and of acetic anhydride, Acta Chem. Scand., 1962, 16, 471-478. [all data]

Conn, Kistiakowsky, et al., 1942
Conn, J.B.; Kistiakowsky, G.B.; Roberts, R.M.; Smith, E.A., Heats of organic reactions. XIII. Heats of hydrolysis of some acid anhydrides, J. Am. Chem. Soc., 1942, 64, 1747-17. [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]

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]

Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO₂^- and C₆H₅NO₂^- by Polar Molecules in the Vapor Phase. Comparison with Cl^- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

Beggs and Field, 1971
Beggs, D.P.; Field, F.H., Reversible Reactions of Gas Phase Ions. II. Propane-Water System, J. Am. Chem. Soc., 1971, 93, 7, 1576, https://doi.org/10.1021/ja00736a002 . [all data]

Bryndza, Fong, et al., 1987
Bryndza, H.E.; Fong, L.K.; Paciello, R.A.; Tam, W.; Bercaw, J.E., J. Am. Chem. Soc., 1987, 109, 1444. [all data]

Gheno and Fitaire, 1987
Gheno, F.; Fitaire, M., Association of N2 with NH4+ and H3O+(H2O)n, n = 1,2,3, J. Chem. Phys., 1987, 87, 2, 953, https://doi.org/10.1063/1.453250 . [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), 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]

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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