Deuterium oxide

• Formula: D₂O
• Molecular weight: 20.0276
• IUPAC Standard InChI: InChI=1S/H2O/h1H2/i/hD2 Copy

  
• IUPAC Standard InChIKey: XLYOFNOQVPJJNP-ZSJDYOACSA-N Copy
• CAS Registry Number: 7789-20-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • Deuterium oxide
• Isotopologues:
  • Water-t
  • Water-¹⁸O
  • Water-d
  • Water-t₂
  • Water
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Vibrational and/or electronic energy levels
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Phase change data

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Ion clustering data

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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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: Cl^- + D₂O = (Cl^- • D₂O)

Bond type: Hydrogen bond (negative ion to hydride)

DO^- +  = (DO^- • )

By formula: DO^- + D₂O = (DO^- • D₂O)

(DO^- • ) +  = (DO^- • 2)

By formula: (DO^- • D₂O) + D₂O = (DO^- • 2D₂O)

(DO^- • 2) +  = (DO^- • 3)

By formula: (DO^- • 2D₂O) + D₂O = (DO^- • 3D₂O)

(DO^- • 3) +  = (DO^- • 4)

By formula: (DO^- • 3D₂O) + D₂O = (DO^- • 4D₂O)

(DO^- • 4) +  = (DO^- • 5)

By formula: (DO^- • 4D₂O) + D₂O = (DO^- • 5D₂O)

D₂O₂^- + 2 = D₄O₃^-

By formula: D₂O₂^- + 2D₂O = D₄O₃^-

 +  = ( • )

By formula: F^- + D₂O = (F^- • D₂O)

Bond type: Hydrogen bond (negative ion to hydride)

 +  = ( • )

By formula: HO^- + D₂O = (HO^- • D₂O)

Bond type: Hydrogen bond (negative ion to hydride)

O^- +  = D₂O₂^-

By formula: O^- + D₂O = D₂O₂^-

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Steckel and Szapiro, 1963
Steckel, F.; Szapiro, S., Physical Prop. of Heavy Oxygen Water Part 1. Density and Thermal Expansion, Trans. Faraday Soc., 1963, 59, 331-43. [all data]

Taylor and Selwood, 1934
Taylor, H.S.; Selwood, P.W., Some Properties of Heavy Water, J. Am. Chem. Soc., 1934, 56, 998. [all data]

Aleksandrov, 1986
Aleksandrov, A.A., Critical Parameters of Ordinary and Heavy Water, Teploenergetika, 1986, No. 1, 74. [all data]

Sifner, 1985
Sifner, O., Recommended Values of Critical Parameters of Ordinary and Heavy Water, Chem. Listy, 1985, 79, 199. [all data]

Riesenfeld and Chang, 1935
Riesenfeld, E.H.; Chang, T.L., The Critical Data of Light and Heavy Water and the Density-Temperature Diagrams., Z. Phys. Chem., Abt. B, 1935, 30, 61-8. [all data]

Liu and Lindsay, 1970
Liu, C.-T.; Lindsay, W.T., Jr., Vapor Pressure of D₂O from 106 to 300 ºC, J. Chem. Eng. Data, 1970, 15, 4, 510-513, https://doi.org/10.1021/je60047a015 . [all data]

Larson and McMahon, 1988
Larson, J.W.; McMahon, T.B., Equilibrium Isotope Effects on the Hydration of Gas Phase Ions. The Effect of H-Bond Formation on Deuterium Isotopic Fractionation Factors for H₃O+,H₅O₂+,F(HOH)^-, and Cl(HOH)^-, J. Am. Chem. Soc., 1988, 110, 4, 1087, https://doi.org/10.1021/ja00212a015 . [all data]

Keesee and Castleman, 1980
Keesee, R.G.; Castleman, A.W., Jr., Heats of formation of SO₂Cl- and (SO₂)₂Cl-, J. Am. Chem. Soc., 1980, 102, 1446. [all data]

Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W., Relative acidities of water and methanol, and the stabilities of the dimer adducts, J. Phys. Chem., 1986, 90, 6687. [all data]

Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P., Hydration of OH^- and O₂^- in the Gas Phase. Comparative Solvation of OH^- by Water and the Hydrogen Halides. Effect of Acidity, J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015 . [all data]

Clements, Luong, et al., 2001
Clements, T.G.; Luong, A.K.; Deyerl, H.J.; Continetti, R.E., Dissociative photodetachment studies of O-(H2O)(2), OH- (H2O)(2), and the deuterated isotopomers: Energetics and three- body dissociation dynamics, J. Chem. Phys., 2001, 114, 19, 8436-8444, https://doi.org/10.1063/1.1366332 . [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Deyerl, Clements, et al., 2001
Deyerl, H.J.; Clements, T.G.; Luong, A.K.; Continetti, R.E., Transition state dynamics of the OH+OH - O+H2O reaction studied by dissociative photodetachment of H2O2-, J. Chem. Phys., 2001, 115, 15, 6931-6940, https://doi.org/10.1063/1.1404148 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Ion clustering data, References

• Symbols used in this document:
  

  Pc	Critical pressure
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ρc	Critical density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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