Chemical Properties of Fumaric acid, 2,4-dichlorophenyl 2-chloro-6-fluorophenyl ester

Fumaric acid, 2,4-dichlorophenyl 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C16H8Cl3FO4/c17-9-4-5-13(11(19)8-9)23-14(21)6-7-15(22)24-16-10(18)2-1-3-12(16)20/h1-8H/b7-6+
InChI Key
WXIBSFVSPWHGSG-VOTSOKGWSA-N
Formula
C16H8Cl3FO4
SMILES
O=C(C=CC(=O)Oc1c(F)cccc1Cl)Oc1ccc(Cl)cc1Cl
Molecular Weight1
389.59
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Physical Properties

Property Value Unit Source
ΔfusH° 48.33 kJ/mol Joback Calculated Property
IE 8.86 eV Relay (1.0) Calculated Property
logPoct/wat 4.853 Crippen Calculated Property
McVol 237.850 ml/mol McGowan Calculated Property
Inp [2589.00; 2589.00]   Show Hide
Inp 2589.00 NIST
Inp 2589.00 NIST
Tboil 618.94 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [307.68; 613.09] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.91300e+01
Coefficient B1.07060e+00
Coefficient C-6.13040e-04
Coefficient D9.64000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 307.68 J/mol×K 273.00 Calculated Property
Cp,gas 365.43 J/mol×K 353.78 Calculated Property
Cp,gas 416.51 J/mol×K 434.56 Calculated Property
Cp,gas 461.23 J/mol×K 515.33 Calculated Property
Cp,gas 499.90 J/mol×K 596.11 Calculated Property
Cp,gas 532.82 J/mol×K 676.89 Calculated Property
Cp,gas 560.30 J/mol×K 757.67 Calculated Property
Cp,gas 582.63 J/mol×K 838.44 Calculated Property
Cp,gas 600.12 J/mol×K 919.22 Calculated Property
Cp,gas 613.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 4-chlorophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, 2-chlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,6-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,5-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, 4-bromophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 4-cyanophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, naphth-1-yl 2-chloro-6-fluorophenyl ester. Fumaric acid, 4-chlorophenyl 2-fluorophenyl ester. Fumaric acid, 2-methoxyphenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 3-chlorophenyl 2-fluorophenyl ester. Fumaric acid, 2-chlorophenyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 3-chlorophenyl ester.

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 2-chloro-6-fluorophenyl ester.

Sources

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