Chemical Properties of Sebacic acid, hexyl 1-phenylpropyl ester

InChI

InChI=1S/C25H40O4/c1-3-5-6-16-21-28-24(26)19-14-9-7-8-10-15-20-25(27)29-23(4-2)22-17-12-11-13-18-22/h11-13,17-18,23H,3-10,14-16,19-21H2,1-2H3

InChI Key

SSZDQHXQPLKYCC-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

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

Molecular Weight¹

404.58

• 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	[510.93; 1207.33]	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			-4.60600e+00
Coefficient B			2.19624e+00
Coefficient C			-1.18140e-03
Coefficient D			1.97100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	510.93	J/mol×K	273.00	Calculated Property
Cp,gas	633.24	J/mol×K	353.78	Calculated Property
Cp,gas	742.86	J/mol×K	434.56	Calculated Property
Cp,gas	840.42	J/mol×K	515.33	Calculated Property
Cp,gas	926.54	J/mol×K	596.11	Calculated Property
Cp,gas	1001.84	J/mol×K	676.89	Calculated Property
Cp,gas	1066.95	J/mol×K	757.67	Calculated Property
Cp,gas	1122.48	J/mol×K	838.44	Calculated Property
Cp,gas	1169.07	J/mol×K	919.22	Calculated Property
Cp,gas	1207.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007112; 0.0000342]	Pa×s	[467.59; 783.99]	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			-1.47661e+01
Coefficient B			3.51512e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			467.59
Temperature range, max.			783.99
η	0.0007112	Pa×s	467.59	Calculated Property
η	0.0004204	Pa×s	502.75	Calculated Property
η	0.0002662	Pa×s	537.90	Calculated Property
η	0.0001783	Pa×s	573.06	Calculated Property
η	0.0001251	Pa×s	608.21	Calculated Property
η	0.0000912	Pa×s	643.37	Calculated Property
η	0.0000687	Pa×s	678.52	Calculated Property
η	0.0000532	Pa×s	713.68	Calculated Property
η	0.0000422	Pa×s	748.84	Calculated Property
η	0.0000342	Pa×s	783.99	Calculated Property

Similar Compounds

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

Sources

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

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