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

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

InChI
InChI=1S/C16H9BrClFO4/c17-10-4-6-11(7-5-10)22-14(20)8-9-15(21)23-16-12(18)2-1-3-13(16)19/h1-9H/b9-8+
InChI Key
VJNLWFLQDHCGFG-CMDGGOBGSA-N
Formula
C16H9BrClFO4
SMILES
O=C(/C=C/C(=O)Oc1c(F)cccc1Cl)Oc1ccc(Br)cc1
Molecular Weight1
399.60
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Physical Properties

Property Value Unit Source
ΔfusH° 45.61 kJ/mol Joback Calculated Property
logPoct/wat 4.309 Crippen Calculated Property
McVol 230.870 ml/mol McGowan Calculated Property
Inp 2585.00 NIST

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 [292.30; 608.66] 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 A2.72400e+01
Coefficient B1.15470e+00
Coefficient C-7.10680e-04
Coefficient D1.37400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 292.30 J/mol×K 273.00 Calculated Property
Cp,gas 352.88 J/mol×K 353.78 Calculated Property
Cp,gas 406.09 J/mol×K 434.56 Calculated Property
Cp,gas 452.37 J/mol×K 515.33 Calculated Property
Cp,gas 492.14 J/mol×K 596.11 Calculated Property
Cp,gas 525.84 J/mol×K 676.89 Calculated Property
Cp,gas 553.91 J/mol×K 757.67 Calculated Property
Cp,gas 576.78 J/mol×K 838.44 Calculated Property
Cp,gas 594.88 J/mol×K 919.22 Calculated Property
Cp,gas 608.66 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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