Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,5-difluorophenyl ester

Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,5-difluorophenyl ester

InChI
InChI=1S/C17H13F2NO3/c1-20(14-5-3-2-4-6-14)16(21)7-8-17(22)23-15-10-12(18)9-13(19)11-15/h2-11H,1H3/b8-7+
InChI Key
PWQXQXKJMUTZSQ-BQYQJAHWSA-N
Formula
C17H13F2NO3
SMILES
CN(C(=O)C=CC(=O)Oc1cc(F)cc(F)c1)c1ccccc1
Molecular Weight1
317.29
Other Names
  • Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,5-fluorophenyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 42.44 kJ/mol Joback Calculated Property
IE 8.65 eV Relay (1.0) Calculated Property
log10WS -4.84 Relay (1.0) Calculated Property
logPoct/wat 3.089 Crippen Calculated Property
McVol 221.100 ml/mol McGowan Calculated Property
Inp 2343.00 NIST
Tfus 360.70 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 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 [291.87; 671.96] 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-3.17000e+01
Coefficient B1.42672e+00
Coefficient C-9.45220e-04
Coefficient D2.22160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 291.87 J/mol×K 273.00 Calculated Property
Cp,gas 364.58 J/mol×K 353.78 Calculated Property
Cp,gas 428.03 J/mol×K 434.56 Calculated Property
Cp,gas 482.92 J/mol×K 515.33 Calculated Property
Cp,gas 529.96 J/mol×K 596.11 Calculated Property
Cp,gas 569.85 J/mol×K 676.89 Calculated Property
Cp,gas 603.29 J/mol×K 757.67 Calculated Property
Cp,gas 630.99 J/mol×K 838.44 Calculated Property
Cp,gas 653.65 J/mol×K 919.22 Calculated Property
Cp,gas 671.96 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 1-naphthyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,5-dichlorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-methylphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,6-dichlorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,4-dimethylphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-chloro-3-methylphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-chloro-2-methylphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-biphenyl ester.

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,5-difluorophenyl ester.

Sources

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