Chemical Properties of Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-isopropoxyphenyl ester

Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-isopropoxyphenyl ester

InChI
InChI=1S/C19H18BrNO4/c1-13(2)24-14-7-9-15(10-8-14)25-19(23)12-11-18(22)21-17-6-4-3-5-16(17)20/h3-13H,1-2H3,(H,21,22)/b12-11+
InChI Key
MHGKFTLESWOHIN-VAWYXSNFSA-N
Formula
C19H18BrNO4
SMILES
CC(C)Oc1ccc(OC(=O)C=CC(=O)Nc2ccccc2Br)cc1
Molecular Weight1
404.25
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Physical Properties

Property Value Unit Source
ΔfusH° 46.49 kJ/mol Joback Calculated Property
IE 8.08 eV Relay (1.0) Calculated Property
logPoct/wat 4.337 Crippen Calculated Property
McVol 269.110 ml/mol McGowan Calculated Property
Inp [3033.00; 3033.00]   Show Hide
Inp 3033.00 NIST
Inp 3033.00 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, 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 [347.65; 787.97] 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-4.21000e+00
Coefficient B1.52634e+00
Coefficient C-9.20820e-04
Coefficient D1.86660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 347.65 J/mol×K 273.00 Calculated Property
Cp,gas 428.79 J/mol×K 353.78 Calculated Property
Cp,gas 500.50 J/mol×K 434.56 Calculated Property
Cp,gas 563.37 J/mol×K 515.33 Calculated Property
Cp,gas 617.99 J/mol×K 596.11 Calculated Property
Cp,gas 664.94 J/mol×K 676.89 Calculated Property
Cp,gas 704.83 J/mol×K 757.67 Calculated Property
Cp,gas 738.24 J/mol×K 838.44 Calculated Property
Cp,gas 765.75 J/mol×K 919.22 Calculated Property
Cp,gas 787.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-bromophenyl)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-chloro-3-methylphenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-chloro-2-methylphenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-bromophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester. Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, 4-bromophenyl ester.

Find more compounds similar to Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-isopropoxyphenyl ester.

Sources

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