Chemical Properties of Fumaric acid, monoamide, N-allyl-, 2-bromo-4-fluorophenyl ester

Fumaric acid, monoamide, N-allyl-, 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C13H11BrFNO3/c1-2-7-16-12(17)5-6-13(18)19-11-4-3-9(15)8-10(11)14/h2-6,8H,1,7H2,(H,16,17)/b6-5+
InChI Key
OMXQAJJJLBKDFL-AATRIKPKSA-N
Formula
C13H11BrFNO3
SMILES
C=CCNC(=O)C=CC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
328.13
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Physical Properties

Property Value Unit Source
ΔfusH° 41.04 kJ/mol Joback Calculated Property
logPoct/wat 2.352 Crippen Calculated Property
McVol 199.930 ml/mol McGowan Calculated Property
Inp [2336.00; 2336.00]   Show Hide
Inp 2336.00 NIST
Inp 2336.00 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 [260.92; 556.47] 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 A1.44310e+01
Coefficient B1.08430e+00
Coefficient C-7.10320e-04
Coefficient D1.68060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 260.92 J/mol×K 273.00 Calculated Property
Cp,gas 316.57 J/mol×K 353.78 Calculated Property
Cp,gas 365.27 J/mol×K 434.56 Calculated Property
Cp,gas 407.57 J/mol×K 515.33 Calculated Property
Cp,gas 443.98 J/mol×K 596.11 Calculated Property
Cp,gas 475.05 J/mol×K 676.89 Calculated Property
Cp,gas 501.30 J/mol×K 757.67 Calculated Property
Cp,gas 523.27 J/mol×K 838.44 Calculated Property
Cp,gas 541.48 J/mol×K 919.22 Calculated Property
Cp,gas 556.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-allyl-, 4-bromophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-allyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-allyl-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 3,5-difluorophenyl ester. Griseofulvin. Cilazapril Me. cis-Acenaphthene-1,2-diol, ferrocenylboronate. (+)-Roemerine. Cilazapril desethyl 3Me (Cilazaprilate 3Me). Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. naringin.

Find more compounds similar to Fumaric acid, monoamide, N-allyl-, 2-bromo-4-fluorophenyl ester.

Sources

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