Chemical Properties of Sebacic acid, isobutyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C20H27Cl3O4/c1-14(2)13-26-18(24)9-7-5-3-4-6-8-10-19(25)27-20-16(22)11-15(21)12-17(20)23/h11-12,14H,3-10,13H2,1-2H3

InChI Key

UPKPXWIKPFSLLE-UHFFFAOYSA-N

Formula

C20H27Cl3O4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

437.79

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

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[452.73; 965.07]	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			8.15090e+01
Coefficient B			1.56314e+00
Coefficient C			-7.69480e-04
Coefficient D			8.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.73	J/mol×K	273.00	Calculated Property
Cp,gas	542.19	J/mol×K	353.78	Calculated Property
Cp,gas	622.85	J/mol×K	434.56	Calculated Property
Cp,gas	695.00	J/mol×K	515.33	Calculated Property
Cp,gas	758.92	J/mol×K	596.11	Calculated Property
Cp,gas	814.90	J/mol×K	676.89	Calculated Property
Cp,gas	863.22	J/mol×K	757.67	Calculated Property
Cp,gas	904.17	J/mol×K	838.44	Calculated Property
Cp,gas	938.02	J/mol×K	919.22	Calculated Property
Cp,gas	965.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003454; 0.0000440]	Pa×s	[538.56; 798.85]	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			-1.42923e+01
Coefficient B			3.40450e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			538.56
Temperature range, max.			798.85
η	0.0003454	Pa×s	538.56	Calculated Property
η	0.0002503	Pa×s	567.48	Calculated Property
η	0.0001871	Pa×s	596.40	Calculated Property
η	0.0001437	Pa×s	625.32	Calculated Property
η	0.0001130	Pa×s	654.25	Calculated Property
η	0.0000906	Pa×s	683.17	Calculated Property
η	0.0000740	Pa×s	712.09	Calculated Property
η	0.0000614	Pa×s	741.01	Calculated Property
η	0.0000517	Pa×s	769.93	Calculated Property
η	0.0000440	Pa×s	798.85	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isobutyl 2,4,6-trichlorophenyl ester.

Sources

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

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