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

InChI

InChI=1S/C29H44O4/c1-2-3-16-23-32-28(30)21-14-6-4-5-7-15-22-29(31)33-27(26-19-12-9-13-20-26)24-25-17-10-8-11-18-25/h9-10,12-13,17,19-20,25,27H,2-8,11,14-16,18,21-24H2,1H3

InChI Key

MQNSQJOOPWIYPI-UHFFFAOYSA-N

Formula

C29H44O4

SMILES

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

Molecular Weight¹

456.66

• 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	[551.19; 1367.47]	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			-6.60670e+01
Coefficient B			2.64232e+00
Coefficient C			-1.46728e-03
Coefficient D			2.58500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	551.19	J/mol×K	273.00	Calculated Property
Cp,gas	696.53	J/mol×K	353.78	Calculated Property
Cp,gas	826.30	J/mol×K	434.56	Calculated Property
Cp,gas	941.32	J/mol×K	515.33	Calculated Property
Cp,gas	1042.41	J/mol×K	596.11	Calculated Property
Cp,gas	1130.38	J/mol×K	676.89	Calculated Property
Cp,gas	1206.06	J/mol×K	757.67	Calculated Property
Cp,gas	1270.25	J/mol×K	838.44	Calculated Property
Cp,gas	1323.79	J/mol×K	919.22	Calculated Property
Cp,gas	1367.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004321; 0.0000202]	Pa×s	[520.81; 878.02]	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			-1.52740e+01
Coefficient B			3.92027e+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.			520.81
Temperature range, max.			878.02
η	0.0004321	Pa×s	520.81	Calculated Property
η	0.0002536	Pa×s	560.50	Calculated Property
η	0.0001597	Pa×s	600.19	Calculated Property
η	0.0001065	Pa×s	639.88	Calculated Property
η	0.0000745	Pa×s	679.57	Calculated Property
η	0.0000542	Pa×s	719.26	Calculated Property
η	0.0000407	Pa×s	758.95	Calculated Property
η	0.0000315	Pa×s	798.64	Calculated Property
η	0.0000250	Pa×s	838.33	Calculated Property
η	0.0000202	Pa×s	878.02	Calculated Property

Similar Compounds

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