Chemical Properties of Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl heptyl ester

InChI

InChI=1S/C31H48O4/c1-2-3-4-9-18-25-34-30(32)23-16-7-5-6-8-17-24-31(33)35-29(28-21-14-11-15-22-28)26-27-19-12-10-13-20-27/h11-12,14-15,19,21-22,27,29H,2-10,13,16-18,20,23-26H2,1H3

InChI Key

MILKMTREHOOLNX-UHFFFAOYSA-N

Formula

C31H48O4

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

484.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[593.62; 1470.66]	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			-6.78850e+01
Coefficient B			2.83232e+00
Coefficient C			-1.57608e-03
Coefficient D			2.82300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	593.62	J/mol×K	273.00	Calculated Property
Cp,gas	749.37	J/mol×K	353.78	Calculated Property
Cp,gas	888.46	J/mol×K	434.56	Calculated Property
Cp,gas	1011.78	J/mol×K	515.33	Calculated Property
Cp,gas	1120.23	J/mol×K	596.11	Calculated Property
Cp,gas	1214.71	J/mol×K	676.89	Calculated Property
Cp,gas	1296.09	J/mol×K	757.67	Calculated Property
Cp,gas	1365.28	J/mol×K	838.44	Calculated Property
Cp,gas	1423.17	J/mol×K	919.22	Calculated Property
Cp,gas	1470.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003188; 0.0000145]	Pa×s	[543.35; 919.16]	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			-1.56124e+01
Coefficient B			4.10859e+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.			543.35
Temperature range, max.			919.16
η	0.0003188	Pa×s	543.35	Calculated Property
η	0.0001859	Pa×s	585.11	Calculated Property
η	0.0001164	Pa×s	626.86	Calculated Property
η	0.0000773	Pa×s	668.62	Calculated Property
η	0.0000539	Pa×s	710.38	Calculated Property
η	0.0000391	Pa×s	752.14	Calculated Property
η	0.0000293	Pa×s	793.89	Calculated Property
η	0.0000226	Pa×s	835.65	Calculated Property
η	0.0000179	Pa×s	877.41	Calculated Property
η	0.0000145	Pa×s	919.16	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl heptyl 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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