Chemical Properties of Sebacic acid, pentyl 3-phenylallyl ester

InChI

InChI=1S/C24H36O4/c1-2-3-13-20-27-23(25)18-11-6-4-5-7-12-19-24(26)28-21-14-17-22-15-9-8-10-16-22/h8-10,14-17H,2-7,11-13,18-21H2,1H3/b17-14+

InChI Key

REOLQHOZIHRLRJ-SAPNQHFASA-N

Formula

C24H36O4

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)OCC=Cc1ccccc1

Molecular Weight¹

388.54

• 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	[476.03; 1124.62]	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			-1.61970e+01
Coefficient B			2.11532e+00
Coefficient C			-1.20760e-03
Coefficient D			2.33100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.03	J/mol×K	273.00	Calculated Property
Cp,gas	591.34	J/mol×K	353.78	Calculated Property
Cp,gas	694.11	J/mol×K	434.56	Calculated Property
Cp,gas	785.10	J/mol×K	515.33	Calculated Property
Cp,gas	865.03	J/mol×K	596.11	Calculated Property
Cp,gas	934.64	J/mol×K	676.89	Calculated Property
Cp,gas	994.66	J/mol×K	757.67	Calculated Property
Cp,gas	1045.84	J/mol×K	838.44	Calculated Property
Cp,gas	1088.92	J/mol×K	919.22	Calculated Property
Cp,gas	1124.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006398; 0.0000373]	Pa×s	[466.24; 769.81]	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			-1.45596e+01
Coefficient B			3.35938e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.24
Temperature range, max.			769.81
η	0.0006398	Pa×s	466.24	Calculated Property
η	0.0003935	Pa×s	499.97	Calculated Property
η	0.0002573	Pa×s	533.70	Calculated Property
η	0.0001770	Pa×s	567.43	Calculated Property
η	0.0001270	Pa×s	601.16	Calculated Property
η	0.0000944	Pa×s	634.89	Calculated Property
η	0.0000723	Pa×s	668.62	Calculated Property
η	0.0000568	Pa×s	702.35	Calculated Property
η	0.0000456	Pa×s	736.08	Calculated Property
η	0.0000373	Pa×s	769.81	Calculated Property

Similar Compounds

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

Sources

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

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