Chemical Properties of Glutaric acid, 6-methylhept-2-yl 2-methylhex-3-yl ester

InChI

InChI=1S/C20H38O4/c1-7-10-18(16(4)5)24-20(22)14-9-13-19(21)23-17(6)12-8-11-15(2)3/h15-18H,7-14H2,1-6H3

InChI Key

YKXUNNKQTPBREP-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCC(OC(=O)CCCC(=O)OC(C)CCCC(C)C)C(C)C

Molecular Weight¹

342.52

• 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_np : Non-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	[461.17; 1069.52]	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			2.87980e+01
Coefficient B			1.81792e+00
Coefficient C			-8.87800e-04
Coefficient D			1.10600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	461.17	J/mol×K	273.00	Calculated Property
Cp,gas	565.72	J/mol×K	353.78	Calculated Property
Cp,gas	660.21	J/mol×K	434.56	Calculated Property
Cp,gas	745.00	J/mol×K	515.33	Calculated Property
Cp,gas	820.43	J/mol×K	596.11	Calculated Property
Cp,gas	886.86	J/mol×K	676.89	Calculated Property
Cp,gas	944.63	J/mol×K	757.67	Calculated Property
Cp,gas	994.10	J/mol×K	838.44	Calculated Property
Cp,gas	1035.61	J/mol×K	919.22	Calculated Property
Cp,gas	1069.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051875; 0.0000569]	Pa×s	[339.82; 667.39]	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			-1.44557e+01
Coefficient B			3.12436e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			339.82
Temperature range, max.			667.39
η	0.0051875	Pa×s	339.82	Calculated Property
η	0.0021314	Pa×s	376.22	Calculated Property
η	0.0010245	Pa×s	412.61	Calculated Property
η	0.0005546	Pa×s	449.01	Calculated Property
η	0.0003291	Pa×s	485.41	Calculated Property
η	0.0002101	Pa×s	521.80	Calculated Property
η	0.0001422	Pa×s	558.20	Calculated Property
η	0.0001009	Pa×s	594.59	Calculated Property
η	0.0000745	Pa×s	630.99	Calculated Property
η	0.0000569	Pa×s	667.39	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 6-methylhept-2-yl 2-methylhex-3-yl ester.

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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