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

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

InChI
InChI=1S/C12H12BrNO3/c1-14(2)11(15)7-8-12(16)17-10-5-3-9(13)4-6-10/h3-8H,1-2H3/b8-7+
InChI Key
AXAWANFJJMMQAK-BQYQJAHWSA-N
Formula
C12H12BrNO3
SMILES
CN(C)C(=O)C=CC(=O)Oc1ccc(Br)cc1
Molecular Weight1
298.13
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° 34.96 kJ/mol Joback Calculated Property
IE 8.58 eV Relay (1.0) Calculated Property
logPoct/wat 1.999 Crippen Calculated Property
McVol 188.370 ml/mol McGowan Calculated Property
Inp 2334.00 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 [459.09; 517.87] J/mol×K [700.67; 929.39] Show Hide
Cp,gas 459.09 J/mol×K 700.67 Joback Calculated Property
Cp,gas 471.13 J/mol×K 738.79 Joback Calculated Property
Cp,gas 482.20 J/mol×K 776.91 Joback Calculated Property
Cp,gas 492.34 J/mol×K 815.03 Joback Calculated Property
Cp,gas 501.63 J/mol×K 853.15 Joback Calculated Property
Cp,gas 510.12 J/mol×K 891.27 Joback Calculated Property
Cp,gas 517.87 J/mol×K 929.39 Joback Calculated Property

Similar Compounds

Fumaric acid, monoamide, N,N-dimethyl-, 2-naphthyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3-chlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 1-naphthyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3-fluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 4-isopropoxyphenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-bromo-4-fluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-fluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-chlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3-methylphenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2,5-dichlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3,4-dimethylphenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2,3-dichlorophenyl ester. Fumaric acid, monoamide, N-allyl-, 4-bromophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2-biphenyl ester.

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