Chemical Properties of Sebacic acid, butyl 3-phenylallyl ester

InChI

InChI=1S/C23H34O4/c1-2-3-19-26-22(24)17-11-6-4-5-7-12-18-23(25)27-20-13-16-21-14-9-8-10-15-21/h8-10,13-16H,2-7,11-12,17-20H2,1H3/b16-13-

InChI Key

BQPJIXZFEXUBAZ-DTQAZKPQSA-N

Formula

C23H34O4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OC/C=C/c1ccccc1

Molecular Weight¹

374.52

• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.81; 1073.03]	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			-1.52880e+01
Coefficient B			2.02032e+00
Coefficient C			-1.15320e-03
Coefficient D			2.21200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	454.81	J/mol×K	273.00	Calculated Property
Cp,gas	564.92	J/mol×K	353.78	Calculated Property
Cp,gas	663.04	J/mol×K	434.56	Calculated Property
Cp,gas	749.87	J/mol×K	515.33	Calculated Property
Cp,gas	826.12	J/mol×K	596.11	Calculated Property
Cp,gas	892.47	J/mol×K	676.89	Calculated Property
Cp,gas	949.65	J/mol×K	757.67	Calculated Property
Cp,gas	998.33	J/mol×K	838.44	Calculated Property
Cp,gas	1039.23	J/mol×K	919.22	Calculated Property
Cp,gas	1073.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007314; 0.0000429]	Pa×s	[454.97; 752.07]	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			-1.43974e+01
Coefficient B			3.26522e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			454.97
Temperature range, max.			752.07
η	0.0007314	Pa×s	454.97	Calculated Property
η	0.0004501	Pa×s	487.98	Calculated Property
η	0.0002946	Pa×s	520.99	Calculated Property
η	0.0002028	Pa×s	554.00	Calculated Property
η	0.0001456	Pa×s	587.01	Calculated Property
η	0.0001082	Pa×s	620.02	Calculated Property
η	0.0000829	Pa×s	653.03	Calculated Property
η	0.0000652	Pa×s	686.05	Calculated Property
η	0.0000524	Pa×s	719.06	Calculated Property
η	0.0000429	Pa×s	752.07	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 3-phenylallyl ester.

Sources

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

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