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

InChI

InChI=1S/C28H42O4/c1-23(2)22-31-27(29)19-13-5-3-4-6-14-20-28(30)32-26(25-17-11-8-12-18-25)21-24-15-9-7-10-16-24/h8-9,11-12,15,17-18,23-24,26H,3-7,10,13-14,16,19-22H2,1-2H3

InChI Key

UWCLDSINFMYUNH-UHFFFAOYSA-N

Formula

C28H42O4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

442.64

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[529.66; 1316.42]	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			-6.68400e+01
Coefficient B			2.55324e+00
Coefficient C			-1.41608e-03
Coefficient D			2.46100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	529.66	J/mol×K	273.00	Calculated Property
Cp,gas	670.10	J/mol×K	353.78	Calculated Property
Cp,gas	795.47	J/mol×K	434.56	Calculated Property
Cp,gas	906.54	J/mol×K	515.33	Calculated Property
Cp,gas	1004.10	J/mol×K	596.11	Calculated Property
Cp,gas	1088.93	J/mol×K	676.89	Calculated Property
Cp,gas	1161.79	J/mol×K	757.67	Calculated Property
Cp,gas	1223.48	J/mol×K	838.44	Calculated Property
Cp,gas	1274.76	J/mol×K	919.22	Calculated Property
Cp,gas	1316.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005949; 0.0000217]	Pa×s	[494.54; 858.54]	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			-1.52402e+01
Coefficient B			3.86393e+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.			494.54
Temperature range, max.			858.54
η	0.0005949	Pa×s	494.54	Calculated Property
η	0.0003296	Pa×s	534.98	Calculated Property
η	0.0001984	Pa×s	575.43	Calculated Property
η	0.0001276	Pa×s	615.87	Calculated Property
η	0.0000867	Pa×s	656.32	Calculated Property
η	0.0000616	Pa×s	696.76	Calculated Property
η	0.0000454	Pa×s	737.21	Calculated Property
η	0.0000346	Pa×s	777.65	Calculated Property
η	0.0000271	Pa×s	818.10	Calculated Property
η	0.0000217	Pa×s	858.54	Calculated Property

Similar Compounds

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