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
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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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [238.09; 530.50] 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-1.15400e+01
Coefficient B1.10474e+00
Coefficient C-7.47660e-04
Coefficient D1.84960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 238.09 J/mol×K 273.00 Calculated Property
Cp,gas 293.91 J/mol×K 353.78 Calculated Property
Cp,gas 342.52 J/mol×K 434.56 Calculated Property
Cp,gas 384.53 J/mol×K 515.33 Calculated Property
Cp,gas 420.51 J/mol×K 596.11 Calculated Property
Cp,gas 451.05 J/mol×K 676.89 Calculated Property
Cp,gas 476.73 J/mol×K 757.67 Calculated Property
Cp,gas 498.14 J/mol×K 838.44 Calculated Property
Cp,gas 515.87 J/mol×K 919.22 Calculated Property
Cp,gas 530.50 J/mol×K 1000.00 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

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