Chemical Properties of C2H3D3O (CAS 1759-87-1)

InChI

InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3

InChI Key

LFQSCWFLJHTTHZ-FIBGUPNXSA-N

Formula

C2H6O

SMILES

[2H]C([2H])([2H])CO

Molecular Weight¹

49.09

CAS

1759-87-1

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of vaporization at standard conditions for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[60.41; 141.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.36100e+00
Coefficient B			2.27820e-01
Coefficient C			-1.15400e-04
Coefficient D			2.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	60.41	J/mol×K	273.00	Calculated Property
Cp,gas	73.51	J/mol×K	353.78	Calculated Property
Cp,gas	85.41	J/mol×K	434.56	Calculated Property
Cp,gas	96.18	J/mol×K	515.33	Calculated Property
Cp,gas	105.90	J/mol×K	596.11	Calculated Property
Cp,gas	114.64	J/mol×K	676.89	Calculated Property
Cp,gas	122.47	J/mol×K	757.67	Calculated Property
Cp,gas	129.45	J/mol×K	838.44	Calculated Property
Cp,gas	135.67	J/mol×K	919.22	Calculated Property
Cp,gas	141.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2300507; 0.0003570]	Pa×s	[173.12; 349.59]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.42834e+01
Coefficient B			2.21835e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			173.12
Temperature range, max.			349.59
η	0.2300507	Pa×s	173.12	Calculated Property
η	0.0624686	Pa×s	192.73	Calculated Property
η	0.0215804	Pa×s	212.33	Calculated Property
η	0.0089228	Pa×s	231.94	Calculated Property
η	0.0042339	Pa×s	251.55	Calculated Property
η	0.0022377	Pa×s	271.16	Calculated Property
η	0.0012889	Pa×s	290.76	Calculated Property
η	0.0007959	Pa×s	310.37	Calculated Property
η	0.0005205	Pa×s	329.98	Calculated Property
η	0.0003570	Pa×s	349.59	Calculated Property

Similar Compounds

Find more compounds similar to C2H3D3O.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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