Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 1-naphthyl ester

Fumaric acid, monoamide, N-methyl-N-phenyl-, 1-naphthyl ester

InChI
InChI=1S/C21H17NO3/c1-22(17-10-3-2-4-11-17)20(23)14-15-21(24)25-19-13-7-9-16-8-5-6-12-18(16)19/h2-15H,1H3/b15-14+
InChI Key
LEALJGJJNFWDDP-CCEZHUSRSA-N
Formula
C21H17NO3
SMILES
CN(C(=O)C=CC(=O)Oc1cccc2ccccc12)c1ccccc1
Molecular Weight1
331.36
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Physical Properties

Property Value Unit Source
ΔfusH° 44.05 kJ/mol Joback Calculated Property
IE 8.07 eV Relay (1.0) Calculated Property
log10WS -4.68 Relay (1.0) Calculated Property
logPoct/wat 3.964 Crippen Calculated Property
McVol 254.460 ml/mol McGowan Calculated Property
Inp 3108.00 NIST
Tfus 390.72 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 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 [316.78; 776.44] 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-9.32600e+01
Coefficient B1.83892e+00
Coefficient C-1.33378e-03
Coefficient D3.64560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 316.78 J/mol×K 273.00 Calculated Property
Cp,gas 406.52 J/mol×K 353.78 Calculated Property
Cp,gas 483.90 J/mol×K 434.56 Calculated Property
Cp,gas 550.08 J/mol×K 515.33 Calculated Property
Cp,gas 606.21 J/mol×K 596.11 Calculated Property
Cp,gas 653.44 J/mol×K 676.89 Calculated Property
Cp,gas 692.92 J/mol×K 757.67 Calculated Property
Cp,gas 725.82 J/mol×K 838.44 Calculated Property
Cp,gas 753.27 J/mol×K 919.22 Calculated Property
Cp,gas 776.44 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-fluorophenyl ester. 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-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-methylphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,5-dichlorophenyl 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-, 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. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-chloro-3-methylphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-chloro-2-methylphenyl ester.

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 1-naphthyl ester.

Sources

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