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

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

InChI
InChI=1S/C16H11BrClNO3/c17-11-5-1-3-7-13(11)19-15(20)9-10-16(21)22-14-8-4-2-6-12(14)18/h1-10H,(H,19,20)/b10-9+
InChI Key
ZVUREVVWAKOFDI-MDZDMXLPSA-N
Formula
C16H11BrClNO3
SMILES
O=C(C=CC(=O)Oc1ccccc1Cl)Nc1ccccc1Br
Molecular Weight1
380.62
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 45.25 kJ/mol Joback Calculated Property
IE 8.30 eV Relay (1.0) Calculated Property
logPoct/wat 4.203 Crippen Calculated Property
McVol 233.210 ml/mol McGowan Calculated Property
Inp 2965.00 NIST
Tfus 406.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [282.32; 622.43] 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-1.24100e+01
Coefficient B1.30540e+00
Coefficient C-8.85820e-04
Coefficient D2.15260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 282.32 J/mol×K 273.00 Calculated Property
Cp,gas 348.07 J/mol×K 353.78 Calculated Property
Cp,gas 405.25 J/mol×K 434.56 Calculated Property
Cp,gas 454.52 J/mol×K 515.33 Calculated Property
Cp,gas 496.58 J/mol×K 596.11 Calculated Property
Cp,gas 532.10 J/mol×K 676.89 Calculated Property
Cp,gas 561.76 J/mol×K 757.67 Calculated Property
Cp,gas 586.25 J/mol×K 838.44 Calculated Property
Cp,gas 606.25 J/mol×K 919.22 Calculated Property
Cp,gas 622.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-bromophenyl)-, 3-fluorophenyl 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-fluorophenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-chloro-3-methylphenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-chloro-2-methylphenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2,5-dichlorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-bromophenyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-chlorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2,4,6-trichlorophenyl ester.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.