Chemical Properties of Water-d (CAS 14940-63-7)

InChI

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

InChI Key

XLYOFNOQVPJJNP-DYCDLGHISA-N

Formula

DHO

SMILES

O

Molecular Weight¹

19.02

CAS

14940-63-7

Other Names

• Water-D1
• HDO

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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
Cp,gas	[33.79; 49.04]	J/mol×K	[298.00; 1500.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.80203e+01
Coefficient B			1.37972e+01
Coefficient C			3.74206e+00
Coefficient D			-2.41610e+00
Coefficient E			1.23292e-01
Reference			Chase, 1998
Comment			F=-253.9504, G=229.8627, H=-245.3711; Data last reviewed in June, 1977
Temperature range, min.			298.00
Temperature range, max.			1500.00
Cp,gas	33.79	J/mol×K	298.00	Calculated Property
Cp,gas	35.14	J/mol×K	431.56	Calculated Property
Cp,gas	36.96	J/mol×K	565.11	Calculated Property
Cp,gas	38.92	J/mol×K	698.67	Calculated Property
Cp,gas	40.88	J/mol×K	832.22	Calculated Property
Cp,gas	42.79	J/mol×K	965.78	Calculated Property
Cp,gas	44.60	J/mol×K	1099.33	Calculated Property
Cp,gas	46.27	J/mol×K	1232.89	Calculated Property
Cp,gas	47.76	J/mol×K	1366.44	Calculated Property
Cp,gas	49.04	J/mol×K	1500.00	Calculated Property
Cp,gas	[49.00; 60.61]	J/mol×K	[1500.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.65294e+01
Coefficient B			6.25613e+00
Coefficient C			-1.02004e+00
Coefficient D			6.28070e-02
Coefficient E			-1.08641e+01
Reference			Chase, 1998
Comment			F=-278.3398, G=233.7948, H=-245.3711; Data last reviewed in June, 1977
Temperature range, min.			1500.00
Temperature range, max.			6000.00
Cp,gas	49.00	J/mol×K	1500.00	Calculated Property
Cp,gas	52.75	J/mol×K	2000.00	Calculated Property
Cp,gas	55.04	J/mol×K	2500.00	Calculated Property
Cp,gas	56.61	J/mol×K	3000.00	Calculated Property
Cp,gas	57.74	J/mol×K	3500.00	Calculated Property
Cp,gas	58.57	J/mol×K	4000.00	Calculated Property
Cp,gas	59.21	J/mol×K	4500.00	Calculated Property
Cp,gas	59.73	J/mol×K	5000.00	Calculated Property
Cp,gas	60.17	J/mol×K	5500.00	Calculated Property
Cp,gas	60.61	J/mol×K	6000.00	Calculated Property

Similar Compounds

Find more compounds similar to Water-d.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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