Chemical Properties of Sebacic acid, di(2,4,6-trichlorobenzyl) ester

InChI

InChI=1S/C24H24Cl6O4/c25-15-9-19(27)17(20(28)10-15)13-33-23(31)7-5-3-1-2-4-6-8-24(32)34-14-18-21(29)11-16(26)12-22(18)30/h9-12H,1-8,13-14H2

InChI Key

NISMECQHDIIBEJ-UHFFFAOYSA-N

Formula

C24H24Cl6O4

SMILES

O=C(CCCCCCCCC(=O)OCc1c(Cl)cc(Cl)cc1Cl)OCc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

589.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[528.51; 1068.06]	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			1.27220e+02
Coefficient B			1.70020e+00
Coefficient C			-8.75160e-04
Coefficient D			1.15800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	528.51	J/mol×K	273.00	Calculated Property
Cp,gas	624.31	J/mol×K	353.78	Calculated Property
Cp,gas	710.29	J/mol×K	434.56	Calculated Property
Cp,gas	786.82	J/mol×K	515.33	Calculated Property
Cp,gas	854.27	J/mol×K	596.11	Calculated Property
Cp,gas	913.00	J/mol×K	676.89	Calculated Property
Cp,gas	963.38	J/mol×K	757.67	Calculated Property
Cp,gas	1005.77	J/mol×K	838.44	Calculated Property
Cp,gas	1040.54	J/mol×K	919.22	Calculated Property
Cp,gas	1068.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000649; 0.0000163]	Pa×s	[752.38; 1005.44]	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			-1.51413e+01
Coefficient B			4.13692e+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.			752.38
Temperature range, max.			1005.44
η	0.0000649	Pa×s	752.38	Calculated Property
η	0.0000532	Pa×s	780.50	Calculated Property
η	0.0000443	Pa×s	808.62	Calculated Property
η	0.0000373	Pa×s	836.73	Calculated Property
η	0.0000317	Pa×s	864.85	Calculated Property
η	0.0000273	Pa×s	892.97	Calculated Property
η	0.0000237	Pa×s	921.09	Calculated Property
η	0.0000207	Pa×s	949.21	Calculated Property
η	0.0000183	Pa×s	977.33	Calculated Property
η	0.0000163	Pa×s	1005.44	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2,4,6-trichlorobenzyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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