Chemical Properties of 2-methylbutyl-d-3 2-methylbutanoate-d-3

InChI

InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3/i1D3,2D3

InChI Key

PVYFCGRBIREQLL-WFGJKAKNSA-N

Formula

C10H20O2

SMILES

[2H]C([2H])([2H])CC(C)COC(=O)C(C)CC([2H])([2H])[2H]

Molecular Weight¹

178.30

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[233.33; 544.42]	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			1.58430e+01
Coefficient B			9.10880e-01
Coefficient C			-4.32000e-04
Coefficient D			4.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.33	J/mol×K	273.00	Calculated Property
Cp,gas	286.22	J/mol×K	353.78	Calculated Property
Cp,gas	334.17	J/mol×K	434.56	Calculated Property
Cp,gas	377.33	J/mol×K	515.33	Calculated Property
Cp,gas	415.85	J/mol×K	596.11	Calculated Property
Cp,gas	449.89	J/mol×K	676.89	Calculated Property
Cp,gas	479.61	J/mol×K	757.67	Calculated Property
Cp,gas	505.17	J/mol×K	838.44	Calculated Property
Cp,gas	526.72	J/mol×K	919.22	Calculated Property
Cp,gas	544.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0167763; 0.0002298]	Pa×s	[214.79; 463.51]	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			-1.20835e+01
Coefficient B			1.71740e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			214.79
Temperature range, max.			463.51
η	0.0167763	Pa×s	214.79	Calculated Property
η	0.0067429	Pa×s	242.43	Calculated Property
η	0.0032660	Pa×s	270.06	Calculated Property
η	0.0018098	Pa×s	297.70	Calculated Property
η	0.0011087	Pa×s	325.33	Calculated Property
η	0.0007333	Pa×s	352.97	Calculated Property
η	0.0005151	Pa×s	380.60	Calculated Property
η	0.0003795	Pa×s	408.24	Calculated Property
η	0.0002907	Pa×s	435.87	Calculated Property
η	0.0002298	Pa×s	463.51	Calculated Property

Similar Compounds

Find more compounds similar to 2-methylbutyl-d-3 2-methylbutanoate-d-3.

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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