Chemical Properties of Glutaric acid, hexadecyl 2-methylpentyl ester

InChI

InChI=1S/C27H52O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(28)21-19-22-27(29)31-24-25(3)20-5-2/h25H,4-24H2,1-3H3

InChI Key

QSTXVERPQCRSOC-UHFFFAOYSA-N

Formula

C27H52O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(C)CCC

Molecular Weight¹

440.71

• 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).
• 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_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[610.61; 1429.04]	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			2.74810e+01
Coefficient B			2.46516e+00
Coefficient C			-1.25900e-03
Coefficient D			1.95400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	610.61	J/mol×K	273.00	Calculated Property
Cp,gas	750.68	J/mol×K	353.78	Calculated Property
Cp,gas	877.02	J/mol×K	434.56	Calculated Property
Cp,gas	990.25	J/mol×K	515.33	Calculated Property
Cp,gas	1091.00	J/mol×K	596.11	Calculated Property
Cp,gas	1179.87	J/mol×K	676.89	Calculated Property
Cp,gas	1257.50	J/mol×K	757.67	Calculated Property
Cp,gas	1324.49	J/mol×K	838.44	Calculated Property
Cp,gas	1381.46	J/mol×K	919.22	Calculated Property
Cp,gas	1429.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006891; 0.0000241]	Pa×s	[463.71; 804.62]	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			-1.51946e+01
Coefficient B			3.67002e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			463.71
Temperature range, max.			804.62
η	0.0006891	Pa×s	463.71	Calculated Property
η	0.0003791	Pa×s	501.59	Calculated Property
η	0.0002268	Pa×s	539.47	Calculated Property
η	0.0001451	Pa×s	577.35	Calculated Property
η	0.0000981	Pa×s	615.22	Calculated Property
η	0.0000694	Pa×s	653.10	Calculated Property
η	0.0000510	Pa×s	690.98	Calculated Property
η	0.0000387	Pa×s	728.86	Calculated Property
η	0.0000302	Pa×s	766.74	Calculated Property
η	0.0000241	Pa×s	804.62	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexadecyl 2-methylpentyl ester.

Sources

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

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