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

Fumaric acid, monoamide, N-(2-bromophenyl)-, isopropyl ester

InChI
InChI=1S/C13H14BrNO3/c1-9(2)18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)/b8-7+
InChI Key
SAKFWXOMFJZLLW-BQYQJAHWSA-N
Formula
C13H14BrNO3
SMILES
CC(C)OC(=O)C=CC(=O)Nc1ccccc1Br
Molecular Weight1
312.16
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Physical Properties

Property Value Unit Source
ΔfusH° 36.11 kJ/mol Joback Calculated Property
IE 8.60 eV Relay (1.0) Calculated Property
logPoct/wat 2.895 Crippen Calculated Property
McVol 202.460 ml/mol McGowan Calculated Property
Inp [2228.00; 2228.00]   Show Hide
Inp 2228.00 NIST
Inp 2228.00 NIST
Tfus 372.67 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 [259.67; 581.49] 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-4.65000e+00
Coefficient B1.15794e+00
Coefficient C-7.41260e-04
Coefficient D1.69460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 259.67 J/mol×K 273.00 Calculated Property
Cp,gas 319.73 J/mol×K 353.78 Calculated Property
Cp,gas 372.47 J/mol×K 434.56 Calculated Property
Cp,gas 418.41 J/mol×K 515.33 Calculated Property
Cp,gas 458.10 J/mol×K 596.11 Calculated Property
Cp,gas 492.07 J/mol×K 676.89 Calculated Property
Cp,gas 520.86 J/mol×K 757.67 Calculated Property
Cp,gas 545.00 J/mol×K 838.44 Calculated Property
Cp,gas 565.03 J/mol×K 919.22 Calculated Property
Cp,gas 581.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-bromophenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, pentafluorobenzyl 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)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-pentyl ester.

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

Sources

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