Deuterium Oxide

Properties, data and information sources.

Contents

Names and Identifiers

Name
Deuterium Oxide

Formula
²H₂O
D₂O

Molar mass
20.027 (g/mol)

CAS registry number
7789-20-0

EC number EINECS
232-148-9

InChI Key
XLYOFNOQVPJJNP-ZSJDYOACSA-N

Systematic name
Deuterated water

Other names, synonyms
Heavy water; Dideuterium monoxide; Water-d2; (²H₂)Water

Trade names; preparations
Eau lourde

Chemical formulas

Molecular formula and structural formula of Deuterium Oxide:

²H₂O oder D₂O

M_r = 20.0272 g/mol

Deuterated water
SMILES: [2H]O[2H]

Data and Properties

The external properties of heavy water do not differ from those of normal water: in its pure state, deuterium oxide is a clear, odorless liquid. The situation is different with the physical properties: the boiling point is around 1.5 degrees higher and the melting point is 3.8 degrees higher. In contrast to water (3.98 °C), D₂O only reaches its highest density (1.1059 g cm^-3 at 11.23 °C). The neutral point for Deuterium oxide is pH = pD = 7.43.

The chemical is stable under normal storage conditions but should be stored away from moisture and light.

solubility:
+ Can be mixed as desired with normal water; has a similar dissolving power as H₂O.
partition coefficient logP = -1.38.

melting point
3.805 °C

boiling point
101.42 °C

density
1.1044 g cm^-3 at 25 °C

molar volume V_m
18.109 cm² mol^-1

vapor pressure
1.999 kPa at 20 °C

2.7464 kPa at 25 °C

viscosity
1.107 cP at 25 °C

71.93 dyn/cm at 25 °C

refractive index
n_D = 1.3283 at 20 °C

enthalpy of vaporization
41.521 kJ/mol

melting enthalpy
6.132 kJ/mol

critical points
T_c = 370.74 °C
p_c = 21.88 MPa
V_c = 55.0 cm^-3 mol ^-1

triple point
3.81 °C

dipole moment
1.87 D (C₆H₆ at 25 °C)

permittivity
ε = 78.06 at 25 °C
(dielectric constant)

Spectroscopic data:

Deuterium oxide is a solvent for NMR spectroscopy and a reference standard for ¹⁷O NMR spectroscopy.

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
EOjGZQO9FEO

NIST IR-Spektrum
Deuterium Oxide

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Deuterium Oxide - ²H₂O - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms E_xData of the element
and isotopes *Percentages
of isotopesPercentage of
E_x in formula massH
Hydrogen2 A_r = 2.0141017781 u
ΣA_r = 4.0282035562 u
²H: 2.0141 u [100 %]
²H: 20.11366 %
20.1137 %O
Oxygen1ΣA_r = 15.999 u
¹⁶O: 15.99491 u [99,757 %]
¹⁷O: 16.99913 u [0,03835 %]
¹⁸O: 17.99916 u [0,205 %]
¹⁶O: 79.69222 %
¹⁷O: 0.03064 %
¹⁸O: 0.16377 %
79.8863 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

More calculated data

The molar mass is M = 20.0272035562 grams per mole.

The amount of substance in one kilogram of the substance is n = 49.932 mol.

The amount of substance in one gram of the substance is n = 0.05 mol.

Monoisotopic mass: 20.0231181752 Da - related to ²H₂¹⁶O.

External Sources

PubChem:ID 24602ChemSpider:ID 23004Kegg database DBGET:ID D03703UNII of the FDA (USA):Unique Ingredient Identifier J65BV539M3EPA CompTox Chemicals Dashboard:DTXSID4051243NCI Thesaurus:C91099 (active ingredient description)Other CAS RN:156428-50-1; 39388-36-8 (also used, outdated or deleted registration numbers)

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Deuterium Oxide as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Deuterium+oxide.

[1] - Harold C. Urey, F. G. Brickwedde und G. M. Murphy:
A Hydrogen Isotope of Mass 2.
In: Physical Review, (1932), DOI 10.1103/PhysRev.39.164.

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isotopes

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Last update: 2023-11-25

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