Chemical Properties of Fumaric acid, 2,3,4,6-tetrachlorophenyl undecyl ester

InChI

InChI=1S/C21H26Cl4O4/c1-2-3-4-5-6-7-8-9-10-13-28-17(26)11-12-18(27)29-21-16(23)14-15(22)19(24)20(21)25/h11-12,14H,2-10,13H2,1H3/b12-11+

InChI Key

BAXHBOKGWTUNMQ-VAWYXSNFSA-N

Formula

C21H26Cl4O4

SMILES

CCCCCCCCCCCOC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

484.24

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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	[476.21; 990.77]	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			9.52900e+01
Coefficient B			1.61952e+00
Coefficient C			-8.57840e-04
Coefficient D			1.33800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.21	J/mol×K	273.00	Calculated Property
Cp,gas	566.80	J/mol×K	353.78	Calculated Property
Cp,gas	648.05	J/mol×K	434.56	Calculated Property
Cp,gas	720.38	J/mol×K	515.33	Calculated Property
Cp,gas	784.21	J/mol×K	596.11	Calculated Property
Cp,gas	839.98	J/mol×K	676.89	Calculated Property
Cp,gas	888.09	J/mol×K	757.67	Calculated Property
Cp,gas	928.98	J/mol×K	838.44	Calculated Property
Cp,gas	963.06	J/mol×K	919.22	Calculated Property
Cp,gas	990.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001777; 0.0000309]	Pa×s	[602.19; 855.76]	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			-1.45424e+01
Coefficient B			3.55714e+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.			602.19
Temperature range, max.			855.76
η	0.0001777	Pa×s	602.19	Calculated Property
η	0.0001365	Pa×s	630.36	Calculated Property
η	0.0001072	Pa×s	658.54	Calculated Property
η	0.0000859	Pa×s	686.71	Calculated Property
η	0.0000700	Pa×s	714.89	Calculated Property
η	0.0000580	Pa×s	743.06	Calculated Property
η	0.0000487	Pa×s	771.24	Calculated Property
η	0.0000414	Pa×s	799.41	Calculated Property
η	0.0000356	Pa×s	827.59	Calculated Property
η	0.0000309	Pa×s	855.76	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,3,4,6-tetrachlorophenyl undecyl 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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