Chemical Properties of Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester

Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester

InChI
InChI=1S/C18H15Cl2NO4/c1-11-9-12(19)3-5-15(11)25-18(23)8-7-17(22)21-14-10-13(20)4-6-16(14)24-2/h3-10H,1-2H3,(H,21,22)/b8-7+
InChI Key
BKSXDXPWGLCLAS-BQYQJAHWSA-N
Formula
C18H15Cl2NO4
SMILES
COc1ccc(Cl)cc1NC(=O)C=CC(=O)Oc1ccc(Cl)cc1C
Molecular Weight1
380.22
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Physical Properties

Property Value Unit Source
ΔfusH° 49.75 kJ/mol Joback Calculated Property
log10WS -5.53 Relay (1.0) Calculated Property
logPoct/wat 4.411 Crippen Calculated Property
McVol 262.000 ml/mol McGowan Calculated Property
Inp [3347.00; 3347.00]   Show Hide
Inp 3347.00 NIST
Inp 3347.00 NIST
Tfus 393.78 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, Ionization energy 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 [344.68; 737.23] 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 A4.45700e+01
Coefficient B1.28184e+00
Coefficient C-6.98540e-04
Coefficient D1.09360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 344.68 J/mol×K 273.00 Calculated Property
Cp,gas 415.47 J/mol×K 353.78 Calculated Property
Cp,gas 478.66 J/mol×K 434.56 Calculated Property
Cp,gas 534.60 J/mol×K 515.33 Calculated Property
Cp,gas 583.63 J/mol×K 596.11 Calculated Property
Cp,gas 626.09 J/mol×K 676.89 Calculated Property
Cp,gas 662.34 J/mol×K 757.67 Calculated Property
Cp,gas 692.71 J/mol×K 838.44 Calculated Property
Cp,gas 717.56 J/mol×K 919.22 Calculated Property
Cp,gas 737.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-ethylphenyl)-, 4-chloro-2-methylphenyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-chloro-2-methylphenyl ester. Griseofulvin. Carteolol hydroxy, acetylated. 5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-fluorophenyl ester. N-Desmethylmirtazapine. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Oxycodone tms derivative. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Oxymorphone, bis(trimethylsilyl) ether. Oxycodone. Oxymorphone. Oxycodone, trimethylsilyl ether.

Find more compounds similar to Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester.

Sources

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