Chemical Properties of Fumaric acid, monoamide, N-allyl-, 4-bromophenyl ester

Fumaric acid, monoamide, N-allyl-, 4-bromophenyl ester

InChI
InChI=1S/C13H12BrNO3/c1-2-9-15-12(16)7-8-13(17)18-11-5-3-10(14)4-6-11/h2-8H,1,9H2,(H,15,16)/b8-7+
InChI Key
KNHGDANWWLGUKN-BQYQJAHWSA-N
Formula
C13H12BrNO3
SMILES
C=CCNC(=O)C=CC(=O)Oc1ccc(Br)cc1
Molecular Weight1
310.14
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Physical Properties

Property Value Unit Source
ΔfusH° 38.35 kJ/mol Joback Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
logPoct/wat 2.213 Crippen Calculated Property
McVol 198.160 ml/mol McGowan Calculated Property
Inp 2464.00 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, 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 [496.46; 550.40] J/mol×K [757.96; 988.29] Show Hide
Cp,gas 496.46 J/mol×K 757.96 Joback Calculated Property
Cp,gas 507.55 J/mol×K 796.35 Joback Calculated Property
Cp,gas 517.71 J/mol×K 834.74 Joback Calculated Property
Cp,gas 527.01 J/mol×K 873.12 Joback Calculated Property
Cp,gas 535.52 J/mol×K 911.51 Joback Calculated Property
Cp,gas 543.29 J/mol×K 949.90 Joback Calculated Property
Cp,gas 550.40 J/mol×K 988.29 Joback Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-allyl-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-allyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N-allyl-, 2,4,6-trichlorophenyl ester. Fumaric acid, monoamide, N-methallyl-, 2,6-dimethoxyphenyl ester. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 4-bromophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-bromophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-chloro-2-methylphenyl ester. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, neopentyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-ethylhexyl ester. Butylone M (dihydro), 2Ac.

Find more compounds similar to Fumaric acid, monoamide, N-allyl-, 4-bromophenyl ester.

Sources

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