Chemical Properties of 2-methylbutanol-d-3

InChI

InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/i1D3

InChI Key

QPRQEDXDYOZYLA-FIBGUPNXSA-N

Formula

C5H12O

SMILES

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

Molecular Weight¹

91.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[123.74; 296.49]	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			1.95200e+00
Coefficient B			5.18740e-01
Coefficient C			-2.81800e-04
Coefficient D			5.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.74	J/mol×K	273.00	Calculated Property
Cp,gas	152.75	J/mol×K	353.78	Calculated Property
Cp,gas	178.89	J/mol×K	434.56	Calculated Property
Cp,gas	202.32	J/mol×K	515.33	Calculated Property
Cp,gas	223.24	J/mol×K	596.11	Calculated Property
Cp,gas	241.83	J/mol×K	676.89	Calculated Property
Cp,gas	258.27	J/mol×K	757.67	Calculated Property
Cp,gas	272.73	J/mol×K	838.44	Calculated Property
Cp,gas	285.42	J/mol×K	919.22	Calculated Property
Cp,gas	296.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.3108841; 0.0003209]	Pa×s	[191.93; 399.73]	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			-1.43953e+01
Coefficient B			2.53865e+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.			191.93
Temperature range, max.			399.73
η	0.3108841	Pa×s	191.93	Calculated Property
η	0.0751224	Pa×s	215.02	Calculated Property
η	0.0239092	Pa×s	238.11	Calculated Property
η	0.0093167	Pa×s	261.20	Calculated Property
η	0.0042310	Pa×s	284.28	Calculated Property
η	0.0021633	Pa×s	307.37	Calculated Property
η	0.0012148	Pa×s	330.46	Calculated Property
η	0.0007356	Pa×s	353.55	Calculated Property
η	0.0004737	Pa×s	376.64	Calculated Property
η	0.0003209	Pa×s	399.73	Calculated Property

Similar Compounds

Find more compounds similar to 2-methylbutanol-d-3.

Sources

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

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