Chemical Properties of Fumaric acid, monoamide, N-(2-fluorophenyl)-, isopropyl ester

Fumaric acid, monoamide, N-(2-fluorophenyl)-, isopropyl ester

InChI
InChI=1S/C13H14FNO3/c1-9(2)18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)/b8-7+
InChI Key
OFWWGYQJWWNCEP-BQYQJAHWSA-N
Formula
C13H14FNO3
SMILES
CC(C)OC(=O)C=CC(=O)Nc1ccccc1F
Molecular Weight1
251.25
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Physical Properties

Property Value Unit Source
ΔfusH° 33.90 kJ/mol Joback Calculated Property
IE 8.72 eV Relay (1.0) Calculated Property
logPoct/wat 2.272 Crippen Calculated Property
McVol 186.730 ml/mol McGowan Calculated Property
Inp [1982.00; 1982.00]   Show Hide
Inp 1982.00 NIST
Inp 1982.00 NIST
Tfus 363.09 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [495.11; 559.76] J/mol×K [693.95; 905.20] Show Hide
Cp,gas 495.11 J/mol×K 693.95 Joback Calculated Property
Cp,gas 508.10 J/mol×K 729.16 Joback Calculated Property
Cp,gas 520.16 J/mol×K 764.37 Joback Calculated Property
Cp,gas 531.32 J/mol×K 799.57 Joback Calculated Property
Cp,gas 541.61 J/mol×K 834.78 Joback Calculated Property
Cp,gas 551.08 J/mol×K 869.99 Joback Calculated Property
Cp,gas 559.76 J/mol×K 905.20 Joback Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-fluorophenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, pentafluorobenzyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-bromophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-pentyl ester.

Find more compounds similar to Fumaric acid, monoamide, N-(2-fluorophenyl)-, isopropyl ester.

Sources

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