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

InChI

InChI=1S/C30H46O4/c1-2-3-4-17-24-33-29(31)22-15-7-5-6-8-16-23-30(32)34-28(27-20-13-10-14-21-27)25-26-18-11-9-12-19-26/h10-11,13-14,18,20-21,26,28H,2-9,12,15-17,19,22-25H2,1H3

InChI Key

KBCSUJOXIGHJPX-UHFFFAOYSA-N

Formula

C30H46O4

SMILES

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

Molecular Weight¹

470.68

• 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	[572.40; 1419.06]	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			-6.69760e+01
Coefficient B			2.73732e+00
Coefficient C			-1.52168e-03
Coefficient D			2.70400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	572.40	J/mol×K	273.00	Calculated Property
Cp,gas	722.95	J/mol×K	353.78	Calculated Property
Cp,gas	857.38	J/mol×K	434.56	Calculated Property
Cp,gas	976.55	J/mol×K	515.33	Calculated Property
Cp,gas	1081.32	J/mol×K	596.11	Calculated Property
Cp,gas	1172.55	J/mol×K	676.89	Calculated Property
Cp,gas	1251.08	J/mol×K	757.67	Calculated Property
Cp,gas	1317.77	J/mol×K	838.44	Calculated Property
Cp,gas	1373.48	J/mol×K	919.22	Calculated Property
Cp,gas	1419.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003715; 0.0000172]	Pa×s	[532.08; 898.18]	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			-1.54428e+01
Coefficient B			4.01443e+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.			532.08
Temperature range, max.			898.18
η	0.0003715	Pa×s	532.08	Calculated Property
η	0.0002174	Pa×s	572.76	Calculated Property
η	0.0001366	Pa×s	613.43	Calculated Property
η	0.0000909	Pa×s	654.11	Calculated Property
η	0.0000635	Pa×s	694.79	Calculated Property
η	0.0000461	Pa×s	735.47	Calculated Property
η	0.0000346	Pa×s	776.14	Calculated Property
η	0.0000268	Pa×s	816.82	Calculated Property
η	0.0000212	Pa×s	857.50	Calculated Property
η	0.0000172	Pa×s	898.18	Calculated Property

Similar Compounds

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