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

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

InChI
InChI=1S/C18H16FNO3/c1-2-13-7-3-5-9-15(13)20-17(21)11-12-18(22)23-16-10-6-4-8-14(16)19/h3-12H,2H2,1H3,(H,20,21)/b12-11+
InChI Key
SDIOUGCHPJXSSZ-VAWYXSNFSA-N
Formula
C18H16FNO3
SMILES
CCc1ccccc1NC(=O)C=CC(=O)Oc1ccccc1F
Molecular Weight1
313.32
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Physical Properties

Property Value Unit Source
ΔfusH° 44.03 kJ/mol Joback Calculated Property
logPoct/wat 3.488 Crippen Calculated Property
McVol 233.420 ml/mol McGowan Calculated Property
Inp 2706.00 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 [305.56; 715.34] 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-2.92190e+01
Coefficient B1.46222e+00
Coefficient C-9.19220e-04
Coefficient D2.01560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 305.56 J/mol×K 273.00 Calculated Property
Cp,gas 381.96 J/mol×K 353.78 Calculated Property
Cp,gas 449.15 J/mol×K 434.56 Calculated Property
Cp,gas 507.78 J/mol×K 515.33 Calculated Property
Cp,gas 558.48 J/mol×K 596.11 Calculated Property
Cp,gas 601.89 J/mol×K 676.89 Calculated Property
Cp,gas 638.64 J/mol×K 757.67 Calculated Property
Cp,gas 669.37 J/mol×K 838.44 Calculated Property
Cp,gas 694.73 J/mol×K 919.22 Calculated Property
Cp,gas 715.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-ethylphenyl)-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, 4-chloro-2-methylphenyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, neopentyl ester. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. Carteolol hydroxy, acetylated. Oxymorphone, bis(trimethylsilyl) ether. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Butorphanol di-TMS derivative. Naloxone. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-.

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Sources

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