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

InChI

InChI=1S/C30H46O4/c1-25(2)16-15-23-33-29(31)21-13-5-3-4-6-14-22-30(32)34-28(27-19-11-8-12-20-27)24-26-17-9-7-10-18-26/h8-9,11-12,17,19-20,25-26,28H,3-7,10,13-16,18,21-24H2,1-2H3

InChI Key

ALKPWRDTORZZCP-UHFFFAOYSA-N

Formula

C30H46O4

SMILES

CC(C)CCCOC(=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).
• 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	[572.09; 1419.60]	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			-6.86580e+01
Coefficient B			2.74324e+00
Coefficient C			-1.52488e-03
Coefficient D			2.69900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	572.09	J/mol×K	273.00	Calculated Property
Cp,gas	722.94	J/mol×K	353.78	Calculated Property
Cp,gas	857.62	J/mol×K	434.56	Calculated Property
Cp,gas	977.00	J/mol×K	515.33	Calculated Property
Cp,gas	1081.93	J/mol×K	596.11	Calculated Property
Cp,gas	1173.25	J/mol×K	676.89	Calculated Property
Cp,gas	1251.82	J/mol×K	757.67	Calculated Property
Cp,gas	1318.51	J/mol×K	838.44	Calculated Property
Cp,gas	1374.15	J/mol×K	919.22	Calculated Property
Cp,gas	1419.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004351; 0.0000157]	Pa×s	[517.08; 897.49]	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			-1.55768e+01
Coefficient B			4.05225e+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.			517.08
Temperature range, max.			897.49
η	0.0004351	Pa×s	517.08	Calculated Property
η	0.0002406	Pa×s	559.35	Calculated Property
η	0.0001447	Pa×s	601.62	Calculated Property
η	0.0000930	Pa×s	643.88	Calculated Property
η	0.0000631	Pa×s	686.15	Calculated Property
η	0.0000448	Pa×s	728.42	Calculated Property
η	0.0000330	Pa×s	770.69	Calculated Property
η	0.0000251	Pa×s	812.96	Calculated Property
η	0.0000196	Pa×s	855.22	Calculated Property
η	0.0000157	Pa×s	897.49	Calculated Property

Similar Compounds

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