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

InChI

InChI=1S/C23H44O4/c1-18(2)14-13-17-26-21(24)15-11-9-7-8-10-12-16-22(25)27-23(19(3)4)20(5)6/h18-20,23H,7-17H2,1-6H3

InChI Key

DUCOCKOBWLTADG-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CC(C)CCCOC(=O)CCCCCCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

384.59

• 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).
• 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 Pressure, 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	[524.81; 1224.29]	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			2.60710e+01
Coefficient B			2.10292e+00
Coefficient C			-1.05100e-03
Coefficient D			1.46300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	524.81	J/mol×K	273.00	Calculated Property
Cp,gas	644.97	J/mol×K	353.78	Calculated Property
Cp,gas	753.44	J/mol×K	434.56	Calculated Property
Cp,gas	850.69	J/mol×K	515.33	Calculated Property
Cp,gas	937.16	J/mol×K	596.11	Calculated Property
Cp,gas	1013.34	J/mol×K	676.89	Calculated Property
Cp,gas	1079.68	J/mol×K	757.67	Calculated Property
Cp,gas	1136.64	J/mol×K	838.44	Calculated Property
Cp,gas	1184.69	J/mol×K	919.22	Calculated Property
Cp,gas	1224.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029718; 0.0000367]	Pa×s	[373.63; 721.02]	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			-1.49368e+01
Coefficient B			3.40684e+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.			373.63
Temperature range, max.			721.02
η	0.0029718	Pa×s	373.63	Calculated Property
η	0.0012654	Pa×s	412.23	Calculated Property
η	0.0006236	Pa×s	450.83	Calculated Property
η	0.0003436	Pa×s	489.43	Calculated Property
η	0.0002066	Pa×s	528.03	Calculated Property
η	0.0001331	Pa×s	566.63	Calculated Property
η	0.0000907	Pa×s	605.23	Calculated Property
η	0.0000647	Pa×s	643.83	Calculated Property
η	0.0000480	Pa×s	682.43	Calculated Property
η	0.0000367	Pa×s	721.02	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,4-dimethylpent-3-yl isohexyl 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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