Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, 2,6-dimethoxyphenyl ester

Fumaric acid, monoamide, N,N-dimethyl-, 2,6-dimethoxyphenyl ester

InChI
InChI=1S/C14H17NO5/c1-15(2)12(16)8-9-13(17)20-14-10(18-3)6-5-7-11(14)19-4/h5-9H,1-4H3/b9-8+
InChI Key
HDHYZJNRYSPJCX-CMDGGOBGSA-N
Formula
C14H17NO5
SMILES
COc1cccc(OC)c1OC(=O)C=CC(=O)N(C)C
Molecular Weight1
279.29
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Physical Properties

Property Value Unit Source
ΔfusH° 36.85 kJ/mol Joback Calculated Property
IE 8.16 eV Relay (1.0) Calculated Property
log10WS -2.06 Relay (1.0) Calculated Property
logPoct/wat 1.254 Crippen Calculated Property
McVol 210.790 ml/mol McGowan Calculated Property
Inp 2432.00 NIST
Tboil 600.02 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [299.89; 658.57] 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 A4.37500e+01
Coefficient B1.07068e+00
Coefficient C-4.96020e-04
Coefficient D4.01600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 299.89 J/mol×K 273.00 Calculated Property
Cp,gas 362.23 J/mol×K 353.78 Calculated Property
Cp,gas 418.65 J/mol×K 434.56 Calculated Property
Cp,gas 469.28 J/mol×K 515.33 Calculated Property
Cp,gas 514.24 J/mol×K 596.11 Calculated Property
Cp,gas 553.67 J/mol×K 676.89 Calculated Property
Cp,gas 587.69 J/mol×K 757.67 Calculated Property
Cp,gas 616.43 J/mol×K 838.44 Calculated Property
Cp,gas 640.01 J/mol×K 919.22 Calculated Property
Cp,gas 658.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-allyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 3-chlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-methallyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-naphthyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 1-naphthyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 4-bromophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2-fluorophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-fluorophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2,3-dichlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3-chlorophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2-chloro-6-fluorophenyl ester.

Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 2,6-dimethoxyphenyl ester.

Sources

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