Chemical Properties of Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-chlorophenyl ester

Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-chlorophenyl ester

InChI
InChI=1S/C16H11ClFNO3/c17-11-5-1-4-8-14(11)22-16(21)10-9-15(20)19-13-7-3-2-6-12(13)18/h1-10H,(H,19,20)/b10-9+
InChI Key
BKMKJNOAVCAJBY-MDZDMXLPSA-N
Formula
C16H11ClFNO3
SMILES
O=C(C=CC(=O)Oc1ccccc1Cl)Nc1ccccc1F
Molecular Weight1
319.71
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Physical Properties

Property Value Unit Source
ΔfusH° 43.05 kJ/mol Joback Calculated Property
IE 8.39 eV Relay (1.0) Calculated Property
logPoct/wat 3.579 Crippen Calculated Property
McVol 217.480 ml/mol McGowan Calculated Property
Inp [2682.00; 2682.00]   Show Hide
Inp 2682.00 NIST
Inp 2682.00 NIST
Tfus 396.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [276.54; 620.43] 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 A-1.45100e+01
Coefficient B1.27900e+00
Coefficient C-8.30820e-04
Coefficient D1.86760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 276.54 J/mol×K 273.00 Calculated Property
Cp,gas 342.26 J/mol×K 353.78 Calculated Property
Cp,gas 399.72 J/mol×K 434.56 Calculated Property
Cp,gas 449.52 J/mol×K 515.33 Calculated Property
Cp,gas 492.25 J/mol×K 596.11 Calculated Property
Cp,gas 528.49 J/mol×K 676.89 Calculated Property
Cp,gas 558.84 J/mol×K 757.67 Calculated Property
Cp,gas 583.88 J/mol×K 838.44 Calculated Property
Cp,gas 604.22 J/mol×K 919.22 Calculated Property
Cp,gas 620.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2,5-dichlorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-bromophenyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-chloro-3-methylphenyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-chlorophenyl ester.

Find more compounds similar to Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-chlorophenyl ester.

Sources

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