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

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

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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
Sources

Physical Properties

Property Value Unit Source
Δf -263.64 kJ/mol Joback Calculated Property
Δfgas -508.94 kJ/mol Joback Calculated Property
Δfus 40.86 kJ/mol Joback Calculated Property
Δvap 75.58 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 2165.35 kPa Joback Calculated Property
Tboil 796.98 K Joback Calculated Property
Tc 1019.81 K Joback Calculated Property
Tfus 509.89 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 614.77 J/mol×K 796.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 2
=CH- (ring) 8
=C< (ring) 4
>N- 1
=CH- 2
-CH3 1
>C=O (nonring) 2

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-isopropoxyphenyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-methylphenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 1-naphthyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,4-dimethylphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-chloro-3-methylphenyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, 3,5-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-chloro-2-methylphenyl ester.

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