Chemical Properties of Sebacic acid, 3-methylphenyl octyl ester

InChI

InChI=1S/C25H40O4/c1-3-4-5-6-11-14-20-28-24(26)18-12-9-7-8-10-13-19-25(27)29-23-17-15-16-22(2)21-23/h15-17,21H,3-14,18-20H2,1-2H3

InChI Key

LLASFIGGWUYVGP-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1cccc(C)c1

Molecular Weight¹

404.58

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[513.79; 1203.76]	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			1.13750e+01
Coefficient B			2.13084e+00
Coefficient C			-1.11116e-03
Coefficient D			1.72700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	513.79	J/mol×K	273.00	Calculated Property
Cp,gas	633.79	J/mol×K	353.78	Calculated Property
Cp,gas	741.69	J/mol×K	434.56	Calculated Property
Cp,gas	838.01	J/mol×K	515.33	Calculated Property
Cp,gas	923.33	J/mol×K	596.11	Calculated Property
Cp,gas	998.17	J/mol×K	676.89	Calculated Property
Cp,gas	1063.09	J/mol×K	757.67	Calculated Property
Cp,gas	1118.62	J/mol×K	838.44	Calculated Property
Cp,gas	1165.33	J/mol×K	919.22	Calculated Property
Cp,gas	1203.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004913; 0.0000375]	Pa×s	[495.11; 788.35]	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			-1.45381e+01
Coefficient B			3.42604e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			495.11
Temperature range, max.			788.35
η	0.0004913	Pa×s	495.11	Calculated Property
η	0.0003205	Pa×s	527.69	Calculated Property
η	0.0002197	Pa×s	560.27	Calculated Property
η	0.0001570	Pa×s	592.86	Calculated Property
η	0.0001162	Pa×s	625.44	Calculated Property
η	0.0000886	Pa×s	658.02	Calculated Property
η	0.0000693	Pa×s	690.60	Calculated Property
η	0.0000554	Pa×s	723.18	Calculated Property
η	0.0000452	Pa×s	755.77	Calculated Property
η	0.0000375	Pa×s	788.35	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-methylphenyl octyl ester.

Sources

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

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