Chemical Properties of Sebacic acid, butyl 4-(2-phenylpropyl-2)-phenyl ester

InChI

InChI=1S/C29H40O4/c1-4-5-23-32-27(30)17-13-8-6-7-9-14-18-28(31)33-26-21-19-25(20-22-26)29(2,3)24-15-11-10-12-16-24/h10-12,15-16,19-22H,4-9,13-14,17-18,23H2,1-3H3

InChI Key

NXOQVJQKJBUNNZ-UHFFFAOYSA-N

Formula

C29H40O4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C(C)(C)c2ccccc2)cc1

Molecular Weight¹

452.63

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[539.93; 1293.06]	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			-5.06390e+01
Coefficient B			2.55776e+00
Coefficient C			-1.53176e-03
Coefficient D			3.17700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	539.93	J/mol×K	273.00	Calculated Property
Cp,gas	676.59	J/mol×K	353.78	Calculated Property
Cp,gas	797.67	J/mol×K	434.56	Calculated Property
Cp,gas	904.15	J/mol×K	515.33	Calculated Property
Cp,gas	997.06	J/mol×K	596.11	Calculated Property
Cp,gas	1077.39	J/mol×K	676.89	Calculated Property
Cp,gas	1146.15	J/mol×K	757.67	Calculated Property
Cp,gas	1204.35	J/mol×K	838.44	Calculated Property
Cp,gas	1252.98	J/mol×K	919.22	Calculated Property
Cp,gas	1293.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002085; 0.0000160]	Pa×s	[569.03; 886.88]	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			-1.56399e+01
Coefficient B			4.07664e+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.			569.03
Temperature range, max.			886.88
η	0.0002085	Pa×s	569.03	Calculated Property
η	0.0001372	Pa×s	604.35	Calculated Property
η	0.0000945	Pa×s	639.66	Calculated Property
η	0.0000677	Pa×s	674.98	Calculated Property
η	0.0000501	Pa×s	710.30	Calculated Property
η	0.0000382	Pa×s	745.62	Calculated Property
η	0.0000298	Pa×s	780.93	Calculated Property
η	0.0000238	Pa×s	816.25	Calculated Property
η	0.0000194	Pa×s	851.57	Calculated Property
η	0.0000160	Pa×s	886.88	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 4-(2-phenylpropyl-2)-phenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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