Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, 3,5-difluorophenyl ester

Fumaric acid, monoamide, N,N-dimethyl-, 3,5-difluorophenyl ester

InChI
InChI=1S/C12H11F2NO3/c1-15(2)11(16)3-4-12(17)18-10-6-8(13)5-9(14)7-10/h3-7H,1-2H3/b4-3+
InChI Key
YQVPTQXBHROYMX-ONEGZZNKSA-N
Formula
C12H11F2NO3
SMILES
CN(C)C(=O)C=CC(=O)Oc1cc(F)cc(F)c1
Molecular Weight1
255.22
Other Names
  • Fumaric acid, monoamide, N,N-dimethyl-, 3,5-fluorophenyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 35.45 kJ/mol Joback Calculated Property
logPoct/wat 1.515 Crippen Calculated Property
McVol 174.410 ml/mol McGowan Calculated Property
Inp [1911.00; 1911.00]   Show Hide
Inp 1911.00 NIST
Inp 1911.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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 [243.06; 532.53] 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 A6.75000e+00
Coefficient B1.03064e+00
Coefficient C-6.42020e-04
Coefficient D1.37160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 243.06 J/mol×K 273.00 Calculated Property
Cp,gas 297.09 J/mol×K 353.78 Calculated Property
Cp,gas 344.64 J/mol×K 434.56 Calculated Property
Cp,gas 386.14 J/mol×K 515.33 Calculated Property
Cp,gas 422.04 J/mol×K 596.11 Calculated Property
Cp,gas 452.76 J/mol×K 676.89 Calculated Property
Cp,gas 478.73 J/mol×K 757.67 Calculated Property
Cp,gas 500.40 J/mol×K 838.44 Calculated Property
Cp,gas 518.18 J/mol×K 919.22 Calculated Property
Cp,gas 532.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N,N-dimethyl-, 3-fluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-fluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3-chlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-naphthyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 4-bromophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-chlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 1-naphthyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2,5-dichlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2,3-dichlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3-methylphenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 4-chloro-3-methylphenyl ester.

Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 3,5-difluorophenyl ester.

Sources

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