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

Fumaric acid, monoamide, N-methyl-N-phenyl-, isopropyl ester

InChI
InChI=1S/C14H17NO3/c1-11(2)18-14(17)10-9-13(16)15(3)12-7-5-4-6-8-12/h4-11H,1-3H3/b10-9+
InChI Key
WCICBBMCSVTQDS-MDZDMXLPSA-N
Formula
C14H17NO3
SMILES
CC(C)OC(=O)C=CC(=O)N(C)c1ccccc1
Molecular Weight1
247.29
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Physical Properties

Property Value Unit Source
ΔfH°gas -422.62 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.72 kJ/mol Joback Calculated Property
ΔvapH° 84.14 kJ/mol Relay (1.0) Calculated Property
IE 8.73 eV Relay (1.0) Calculated Property
log10WS -2.94 Relay (1.0) Calculated Property
logPoct/wat 2.157 Crippen Calculated Property
McVol 199.050 ml/mol McGowan Calculated Property
Inp [1960.00; 1960.00]   Show Hide
Inp 1960.00 NIST
Inp 1960.00 NIST
Tboil 571.27 K Relay (1.0) Calculated Property
Tfus 336.54 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [263.67; 628.19] 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-3.75300e+01
Coefficient B1.32196e+00
Coefficient C-8.55300e-04
Coefficient D1.99060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 263.67 J/mol×K 273.00 Calculated Property
Cp,gas 331.92 J/mol×K 353.78 Calculated Property
Cp,gas 391.76 J/mol×K 434.56 Calculated Property
Cp,gas 443.82 J/mol×K 515.33 Calculated Property
Cp,gas 488.74 J/mol×K 596.11 Calculated Property
Cp,gas 527.15 J/mol×K 676.89 Calculated Property
Cp,gas 559.66 J/mol×K 757.67 Calculated Property
Cp,gas 586.92 J/mol×K 838.44 Calculated Property
Cp,gas 609.56 J/mol×K 919.22 Calculated Property
Cp,gas 628.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-methyl-N-phenyl-, neopentyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-pentyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, pentafluorobenzyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,6-dichlorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 1-naphthyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, isopropyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-fluorophenyl ester.

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

Sources

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