Chemical Properties of Sebacic acid, 2,4-dimethylpent-3-yl pentadecyl ester

InChI

InChI=1S/C32H62O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-35-30(33)25-22-19-16-17-20-23-26-31(34)36-32(28(2)3)29(4)5/h28-29,32H,6-27H2,1-5H3

InChI Key

IQDRZKWTALQNIE-UHFFFAOYSA-N

Formula

C32H62O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

510.83

• 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	[716.05; 1688.07]	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			1.95720e+01
Coefficient B			2.95200e+00
Coefficient C			-1.53740e-03
Coefficient D			2.53900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	716.05	J/mol×K	273.00	Calculated Property
Cp,gas	882.75	J/mol×K	353.78	Calculated Property
Cp,gas	1032.89	J/mol×K	434.56	Calculated Property
Cp,gas	1167.30	J/mol×K	515.33	Calculated Property
Cp,gas	1286.76	J/mol×K	596.11	Calculated Property
Cp,gas	1392.09	J/mol×K	676.89	Calculated Property
Cp,gas	1484.08	J/mol×K	757.67	Calculated Property
Cp,gas	1563.54	J/mol×K	838.44	Calculated Property
Cp,gas	1631.27	J/mol×K	919.22	Calculated Property
Cp,gas	1688.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004501; 0.0000080]	Pa×s	[490.06; 922.31]	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			-1.63099e+01
Coefficient B			4.21646e+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.			490.06
Temperature range, max.			922.31
η	0.0004501	Pa×s	490.06	Calculated Property
η	0.0002088	Pa×s	538.09	Calculated Property
η	0.0001099	Pa×s	586.12	Calculated Property
η	0.0000637	Pa×s	634.14	Calculated Property
η	0.0000399	Pa×s	682.17	Calculated Property
η	0.0000266	Pa×s	730.20	Calculated Property
η	0.0000186	Pa×s	778.23	Calculated Property
η	0.0000136	Pa×s	826.25	Calculated Property
η	0.0000103	Pa×s	874.28	Calculated Property
η	0.0000080	Pa×s	922.31	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,4-dimethylpent-3-yl pentadecyl ester.

Sources

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

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