Chemical Properties of Sebacic acid, 4-heptyl nonyl ester

InChI

InChI=1S/C26H50O4/c1-4-7-8-9-12-15-18-23-29-25(27)21-16-13-10-11-14-17-22-26(28)30-24(19-5-2)20-6-3/h24H,4-23H2,1-3H3

InChI Key

IRKWYUWEHKHRBW-UHFFFAOYSA-N

Formula

C26H50O4

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(CCC)CCC

Molecular Weight¹

426.67

• 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	[589.40; 1377.45]	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			2.83900e+01
Coefficient B			2.37016e+00
Coefficient C			-1.20460e-03
Coefficient D			1.83500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	589.40	J/mol×K	273.00	Calculated Property
Cp,gas	724.26	J/mol×K	353.78	Calculated Property
Cp,gas	845.94	J/mol×K	434.56	Calculated Property
Cp,gas	955.02	J/mol×K	515.33	Calculated Property
Cp,gas	1052.09	J/mol×K	596.11	Calculated Property
Cp,gas	1137.71	J/mol×K	676.89	Calculated Property
Cp,gas	1212.48	J/mol×K	757.67	Calculated Property
Cp,gas	1276.97	J/mol×K	838.44	Calculated Property
Cp,gas	1331.77	J/mol×K	919.22	Calculated Property
Cp,gas	1377.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008052; 0.0000287]	Pa×s	[452.44; 782.71]	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			-1.50280e+01
Coefficient B			3.57586e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			452.44
Temperature range, max.			782.71
η	0.0008052	Pa×s	452.44	Calculated Property
η	0.0004450	Pa×s	489.14	Calculated Property
η	0.0002672	Pa×s	525.83	Calculated Property
η	0.0001714	Pa×s	562.53	Calculated Property
η	0.0001162	Pa×s	599.23	Calculated Property
η	0.0000823	Pa×s	635.92	Calculated Property
η	0.0000606	Pa×s	672.62	Calculated Property
η	0.0000460	Pa×s	709.32	Calculated Property
η	0.0000359	Pa×s	746.02	Calculated Property
η	0.0000287	Pa×s	782.71	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-heptyl nonyl ester.

Sources

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

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