Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester

Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester

InChI
InChI=1S/C17H14BrNO3/c1-19(14-5-3-2-4-6-14)16(20)11-12-17(21)22-15-9-7-13(18)8-10-15/h2-12H,1H3/b12-11-
InChI Key
UKUMPJAFVXSDSP-VAWYXSNFSA-N
Formula
C17H14BrNO3
SMILES
CN(C(=O)/C=C/C(=O)Oc1ccc(Br)cc1)c1ccccc1
Molecular Weight1
360.21
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Physical Properties

Property Value Unit Source
ΔfusH° 41.95 kJ/mol Joback Calculated Property
IE 8.40 eV Relay (1.0) Calculated Property
log10WS -5.03 Relay (1.0) Calculated Property
logPoct/wat 3.574 Crippen Calculated Property
McVol 235.060 ml/mol McGowan Calculated Property
Inp [2805.00; 2805.00]   Show Hide
Inp 2805.00 NIST
Inp 2805.00 NIST
Tboil 664.41 K Relay (1.0) Calculated Property
Tfus 381.21 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [629.75; 686.83] J/mol×K [841.75; 1089.12] Show Hide
Cp,gas 629.75 J/mol×K 841.75 Joback Calculated Property
Cp,gas 641.74 J/mol×K 882.98 Joback Calculated Property
Cp,gas 652.59 J/mol×K 924.21 Joback Calculated Property
Cp,gas 662.41 J/mol×K 965.43 Joback Calculated Property
Cp,gas 671.31 J/mol×K 1006.66 Joback Calculated Property
Cp,gas 679.41 J/mol×K 1047.89 Joback Calculated Property
Cp,gas 686.83 J/mol×K 1089.12 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester.

Sources

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