Chemical Properties of Sebacic acid, cis-non-3-enyl isohexyl ester

InChI

InChI=1S/C25H46O4/c1-4-5-6-7-10-13-16-21-28-24(26)19-14-11-8-9-12-15-20-25(27)29-22-17-18-23(2)3/h10,13,23H,4-9,11-12,14-22H2,1-3H3/b13-10-

InChI Key

XIJVFPKPYORUSU-RAXLEYEMSA-N

Formula

C25H46O4

SMILES

CCCCCC=CCCOC(=O)CCCCCCCCC(=O)OCCCC(C)C

Molecular Weight¹

410.63

• 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	[554.18; 1295.28]	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			1.51170e+01
Coefficient B			2.29516e+00
Coefficient C			-1.23400e-03
Coefficient D			2.19000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	554.18	J/mol×K	273.00	Calculated Property
Cp,gas	682.34	J/mol×K	353.78	Calculated Property
Cp,gas	797.44	J/mol×K	434.56	Calculated Property
Cp,gas	900.15	J/mol×K	515.33	Calculated Property
Cp,gas	991.18	J/mol×K	596.11	Calculated Property
Cp,gas	1071.21	J/mol×K	676.89	Calculated Property
Cp,gas	1140.95	J/mol×K	757.67	Calculated Property
Cp,gas	1201.08	J/mol×K	838.44	Calculated Property
Cp,gas	1252.29	J/mol×K	919.22	Calculated Property
Cp,gas	1295.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008904; 0.0000295]	Pa×s	[436.09; 764.59]	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			-1.49533e+01
Coefficient B			3.45794e+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.			436.09
Temperature range, max.			764.59
η	0.0008904	Pa×s	436.09	Calculated Property
η	0.0004826	Pa×s	472.59	Calculated Property
η	0.0002856	Pa×s	509.09	Calculated Property
η	0.0001813	Pa×s	545.59	Calculated Property
η	0.0001218	Pa×s	582.09	Calculated Property
η	0.0000858	Pa×s	618.59	Calculated Property
η	0.0000629	Pa×s	655.09	Calculated Property
η	0.0000476	Pa×s	691.59	Calculated Property
η	0.0000370	Pa×s	728.09	Calculated Property
η	0.0000295	Pa×s	764.59	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, cis-non-3-enyl isohexyl ester.

Sources

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

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