Chemical Properties of Sebacic acid, hexyl 3-methylphenyl ester

InChI

InChI=1S/C23H36O4/c1-3-4-5-12-18-26-22(24)16-10-8-6-7-9-11-17-23(25)27-21-15-13-14-20(2)19-21/h13-15,19H,3-12,16-18H2,1-2H3

InChI Key

NTIXOHOSPCBQQU-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

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

Molecular Weight¹

376.54

• 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	[471.37; 1100.57]	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			1.31930e+01
Coefficient B			1.94084e+00
Coefficient C			-1.00236e-03
Coefficient D			1.48900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	471.37	J/mol×K	273.00	Calculated Property
Cp,gas	580.96	J/mol×K	353.78	Calculated Property
Cp,gas	679.53	J/mol×K	434.56	Calculated Property
Cp,gas	767.56	J/mol×K	515.33	Calculated Property
Cp,gas	845.50	J/mol×K	596.11	Calculated Property
Cp,gas	913.85	J/mol×K	676.89	Calculated Property
Cp,gas	973.05	J/mol×K	757.67	Calculated Property
Cp,gas	1023.60	J/mol×K	838.44	Calculated Property
Cp,gas	1065.95	J/mol×K	919.22	Calculated Property
Cp,gas	1100.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006358; 0.0000500]	Pa×s	[472.57; 751.36]	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			-1.42120e+01
Coefficient B			3.23772e+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.			472.57
Temperature range, max.			751.36
η	0.0006358	Pa×s	472.57	Calculated Property
η	0.0004171	Pa×s	503.55	Calculated Property
η	0.0002874	Pa×s	534.52	Calculated Property
η	0.0002062	Pa×s	565.50	Calculated Property
η	0.0001532	Pa×s	596.47	Calculated Property
η	0.0001172	Pa×s	627.45	Calculated Property
η	0.0000919	Pa×s	658.43	Calculated Property
η	0.0000737	Pa×s	689.40	Calculated Property
η	0.0000602	Pa×s	720.38	Calculated Property
η	0.0000500	Pa×s	751.36	Calculated Property

Similar Compounds

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

Sources

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

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