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

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

InChI
InChI=1S/C20H21NO4/c1-15(2)24-17-9-11-18(12-10-17)25-20(23)14-13-19(22)21(3)16-7-5-4-6-8-16/h4-15H,1-3H3/b14-13+
InChI Key
XCXWNDVFTXQAHX-BUHFOSPRSA-N
Formula
C20H21NO4
SMILES
CC(C)Oc1ccc(OC(=O)C=CC(=O)N(C)c2ccccc2)cc1
Molecular Weight1
339.38
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Physical Properties

Property Value Unit Source
ΔfusH° 42.10 kJ/mol Joback Calculated Property
IE 8.15 eV Relay (1.0) Calculated Property
logPoct/wat 3.598 Crippen Calculated Property
McVol 265.700 ml/mol McGowan Calculated Property
Inp [2731.00; 2731.00]   Show Hide
Inp 2731.00 NIST
Inp 2731.00 NIST
Tboil 659.52 K Relay (1.0) Calculated Property
Tfus 381.69 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, 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 [351.65; 834.67] 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-3.70900e+01
Coefficient B1.69036e+00
Coefficient C-1.03486e-03
Coefficient D2.16260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.65 J/mol×K 273.00 Calculated Property
Cp,gas 440.98 J/mol×K 353.78 Calculated Property
Cp,gas 519.79 J/mol×K 434.56 Calculated Property
Cp,gas 588.78 J/mol×K 515.33 Calculated Property
Cp,gas 648.63 J/mol×K 596.11 Calculated Property
Cp,gas 700.02 J/mol×K 676.89 Calculated Property
Cp,gas 743.63 J/mol×K 757.67 Calculated Property
Cp,gas 780.16 J/mol×K 838.44 Calculated Property
Cp,gas 810.27 J/mol×K 919.22 Calculated Property
Cp,gas 834.67 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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