Chemical Properties of methyl 2-methylbutanoate-d-9

InChI

InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3/i1D3,2D3,4D2,5D

InChI Key

OCWLYWIFNDCWRZ-OMLAQRBSSA-N

Formula

C6H12O2

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])(C(=O)OC)C([2H])([2H])[2H]

Molecular Weight¹

125.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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
Cp,gas	[148.79; 337.52]	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			2.11610e+01
Coefficient B			5.24960e-01
Coefficient C			-2.11200e-04
Coefficient D			2.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.79	J/mol×K	273.00	Calculated Property
Cp,gas	180.56	J/mol×K	353.78	Calculated Property
Cp,gas	209.62	J/mol×K	434.56	Calculated Property
Cp,gas	235.96	J/mol×K	515.33	Calculated Property
Cp,gas	259.60	J/mol×K	596.11	Calculated Property
Cp,gas	280.54	J/mol×K	676.89	Calculated Property
Cp,gas	298.80	J/mol×K	757.67	Calculated Property
Cp,gas	314.37	J/mol×K	838.44	Calculated Property
Cp,gas	327.28	J/mol×K	919.22	Calculated Property
Cp,gas	337.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0116437; 0.0002599]	Pa×s	[184.71; 400.67]	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			-1.15070e+01
Coefficient B			1.30294e+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.			184.71
Temperature range, max.			400.67
η	0.0116437	Pa×s	184.71	Calculated Property
η	0.0051745	Pa×s	208.71	Calculated Property
η	0.0027182	Pa×s	232.70	Calculated Property
η	0.0016106	Pa×s	256.70	Calculated Property
η	0.0010436	Pa×s	280.69	Calculated Property
η	0.0007240	Pa×s	304.69	Calculated Property
η	0.0005299	Pa×s	328.68	Calculated Property
η	0.0004046	Pa×s	352.68	Calculated Property
η	0.0003198	Pa×s	376.67	Calculated Property
η	0.0002599	Pa×s	400.67	Calculated Property

Similar Compounds

Find more compounds similar to methyl 2-methylbutanoate-d-9.

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
• Joback Method
• McGowan Method
• NIST Webbook

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