Chemical Properties of Fumaric acid, monoamide, N-(2-bromophenyl)-, neopentyl ester

Fumaric acid, monoamide, N-(2-bromophenyl)-, neopentyl ester

InChI
InChI=1S/C15H18BrNO3/c1-15(2,3)10-20-14(19)9-8-13(18)17-12-7-5-4-6-11(12)16/h4-9H,10H2,1-3H3,(H,17,18)/b9-8+
InChI Key
IIKYRXUQHOAFHV-CMDGGOBGSA-N
Formula
C15H18BrNO3
SMILES
CC(C)(C)COC(=O)/C=C/C(=O)Nc1ccccc1Br
Molecular Weight1
340.22
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Physical Properties

Property Value Unit Source
ΔfusH° 37.40 kJ/mol Joback Calculated Property
IE 8.72 eV Relay (1.0) Calculated Property
logPoct/wat 3.533 Crippen Calculated Property
McVol 230.640 ml/mol McGowan Calculated Property
Inp [2407.00; 2407.00]   Show Hide
Inp 2407.00 NIST
Inp 2407.00 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 [630.43; 693.08] J/mol×K [803.81; 1033.97] Show Hide
Cp,gas 630.43 J/mol×K 803.81 Joback Calculated Property
Cp,gas 643.12 J/mol×K 842.17 Joback Calculated Property
Cp,gas 654.80 J/mol×K 880.53 Joback Calculated Property
Cp,gas 665.55 J/mol×K 918.89 Joback Calculated Property
Cp,gas 675.45 J/mol×K 957.25 Joback Calculated Property
Cp,gas 684.60 J/mol×K 995.61 Joback Calculated Property
Cp,gas 693.08 J/mol×K 1033.97 Joback Calculated Property

Similar Compounds

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

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

Sources

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