Chemical Properties of Sebacic acid, pentyl 1-phenylpropyl ester

InChI

InChI=1S/C24H38O4/c1-3-5-15-20-27-23(25)18-13-8-6-7-9-14-19-24(26)28-22(4-2)21-16-11-10-12-17-21/h10-12,16-17,22H,3-9,13-15,18-20H2,1-2H3

InChI Key

MQVUXRXWGRUIFY-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)OC(CC)c1ccccc1

Molecular Weight¹

390.56

• 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	[489.72; 1155.74]	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			-3.69700e+00
Coefficient B			2.10124e+00
Coefficient C			-1.12700e-03
Coefficient D			1.85200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	489.72	J/mol×K	273.00	Calculated Property
Cp,gas	606.82	J/mol×K	353.78	Calculated Property
Cp,gas	711.79	J/mol×K	434.56	Calculated Property
Cp,gas	805.19	J/mol×K	515.33	Calculated Property
Cp,gas	887.63	J/mol×K	596.11	Calculated Property
Cp,gas	959.68	J/mol×K	676.89	Calculated Property
Cp,gas	1021.93	J/mol×K	757.67	Calculated Property
Cp,gas	1074.97	J/mol×K	838.44	Calculated Property
Cp,gas	1119.38	J/mol×K	919.22	Calculated Property
Cp,gas	1155.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008205; 0.0000397]	Pa×s	[456.32; 765.48]	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			-1.46024e+01
Coefficient B			3.42096e+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.			456.32
Temperature range, max.			765.48
η	0.0008205	Pa×s	456.32	Calculated Property
η	0.0004855	Pa×s	490.67	Calculated Property
η	0.0003076	Pa×s	525.02	Calculated Property
η	0.0002062	Pa×s	559.37	Calculated Property
η	0.0001447	Pa×s	593.72	Calculated Property
η	0.0001056	Pa×s	628.07	Calculated Property
η	0.0000796	Pa×s	662.43	Calculated Property
η	0.0000617	Pa×s	696.78	Calculated Property
η	0.0000490	Pa×s	731.13	Calculated Property
η	0.0000397	Pa×s	765.48	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, pentyl 1-phenylpropyl ester.

Sources

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

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