Chemical Properties of Deuterium oxide (CAS 7789-20-0)

InChI

InChI=1S/H2O/h1H2/i/hD2

InChI Key

XLYOFNOQVPJJNP-ZSJDYOACSA-N

Formula

D2O

SMILES

[2H]O[2H]

Molecular Weight¹

20.03

CAS

7789-20-0

Other Names

• HEAVY WATER

• ω : Acentric Factor.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_c : Critical Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3880		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
logPoct/wat	-0.825		Crippen Calculated Property
McVol	16.730	ml/mol	McGowan Calculated Property
Pc	[21663.28; 21663.29]	kPa
Pc	21663.28	kPa	Mathews (1972), critical constants of inorganic substances Compiled value
Pc	21663.29	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	[644.00; 644.00]	K
Tc	644.00	K	Mathews (1972), critical constants of inorganic substances Compiled value
Tc	644.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	[0.056; 0.056]	m3/kmol
Vc	0.056	m3/kmol	Mathews (1972), critical constants of inorganic substances Compiled value
Vc	0.056	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Zc	0.2300000		Mathews (1972), critical constants of inorganic substances Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.67; 21665.08]	kPa	[276.97; 643.89]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65518e+01
Coefficient B			-3.93505e+03
Coefficient C			-4.48000e+01
Temperature range, min.			276.97
Temperature range, max.			643.89
Pvap	0.67	kPa	276.97	Calculated Property
Pvap	8.45	kPa	317.74	Calculated Property
Pvap	55.05	kPa	358.51	Calculated Property
Pvap	232.95	kPa	399.28	Calculated Property
Pvap	732.07	kPa	440.05	Calculated Property
Pvap	1857.13	kPa	480.81	Calculated Property
Pvap	4017.86	kPa	521.58	Calculated Property
Pvap	7697.42	kPa	562.35	Calculated Property
Pvap	13410.99	kPa	603.12	Calculated Property
Pvap	21665.08	kPa	643.89	Calculated Property
Pvap	[0.69; 155.69]	kPa	[277.15; 386.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.35166e+01
Coefficient B			-8.36079e+03
Coefficient C			-1.14621e+01
Coefficient D			9.74840e-06
Coefficient E			0.00000e+00
Temperature range, min.			277.15
Temperature range, max.			386.15
Pvap	0.69	kPa	277.15	Calculated Property
Pvap	1.60	kPa	289.26	Calculated Property
Pvap	3.42	kPa	301.37	Calculated Property
Pvap	6.84	kPa	313.48	Calculated Property
Pvap	12.88	kPa	325.59	Calculated Property
Pvap	23.02	kPa	337.71	Calculated Property
Pvap	39.29	kPa	349.82	Calculated Property
Pvap	64.37	kPa	361.93	Calculated Property
Pvap	101.73	kPa	374.04	Calculated Property
Pvap	155.69	kPa	386.15	Calculated Property

Similar Compounds

Find more compounds similar to Deuterium oxide.

Sources

• KDB Vapor Pressure Data
• Mathews (1972), critical constants of inorganic substances ChEDL chemicals 1.5.2, from Mathews, J. F. Critical Constants of Inorganic Substances. Chem. Rev. 1972, 72, 71-100.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Crippen Method
• Crippen Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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