Chemical Properties of Sebacic acid, isohexyl trans-3-hexenyl ester

InChI

InChI=1S/C22H40O4/c1-4-5-6-13-18-25-21(23)16-11-9-7-8-10-12-17-22(24)26-19-14-15-20(2)3/h5-6,20H,4,7-19H2,1-3H3/b6-5+

InChI Key

ONRCGOHVOXTDPZ-AATRIKPKSA-N

Formula

C22H40O4

SMILES

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

Molecular Weight¹

368.55

• 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	[490.54; 1140.50]	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			1.78440e+01
Coefficient B			2.01016e+00
Coefficient C			-1.07080e-03
Coefficient D			1.83300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.54	J/mol×K	273.00	Calculated Property
Cp,gas	603.09	J/mol×K	353.78	Calculated Property
Cp,gas	704.20	J/mol×K	434.56	Calculated Property
Cp,gas	794.46	J/mol×K	515.33	Calculated Property
Cp,gas	874.44	J/mol×K	596.11	Calculated Property
Cp,gas	944.73	J/mol×K	676.89	Calculated Property
Cp,gas	1005.90	J/mol×K	757.67	Calculated Property
Cp,gas	1058.53	J/mol×K	838.44	Calculated Property
Cp,gas	1103.21	J/mol×K	919.22	Calculated Property
Cp,gas	1140.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014008; 0.0000468]	Pa×s	[402.28; 706.61]	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			-1.44644e+01
Coefficient B			3.17546e+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.			402.28
Temperature range, max.			706.61
η	0.0014008	Pa×s	402.28	Calculated Property
η	0.0007595	Pa×s	436.09	Calculated Property
η	0.0004498	Pa×s	469.91	Calculated Property
η	0.0002857	Pa×s	503.72	Calculated Property
η	0.0001922	Pa×s	537.54	Calculated Property
η	0.0001355	Pa×s	571.35	Calculated Property
η	0.0000993	Pa×s	605.17	Calculated Property
η	0.0000752	Pa×s	638.98	Calculated Property
η	0.0000586	Pa×s	672.79	Calculated Property
η	0.0000468	Pa×s	706.61	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isohexyl trans-3-hexenyl 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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