Chemical Properties of Fumaric acid, monoamide, N-(4-chlorophenyl)-, isopropyl ester

Fumaric acid, monoamide, N-(4-chlorophenyl)-, isopropyl ester

InChI
InChI=1S/C13H14ClNO3/c1-9(2)18-13(17)8-7-12(16)15-11-5-3-10(14)4-6-11/h3-9H,1-2H3,(H,15,16)/b8-7+
InChI Key
JLNQFQCOGXLTRZ-BQYQJAHWSA-N
Formula
C13H14ClNO3
SMILES
CC(C)OC(=O)/C=C/C(=O)Nc1ccc(Cl)cc1
Molecular Weight1
267.71
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Physical Properties

Property Value Unit Source
ΔfH°gas -482.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.44 kJ/mol Joback Calculated Property
ΔvapH° 95.63 kJ/mol Relay (1.0) Calculated Property
IE 8.51 eV Relay (1.0) Calculated Property
log10WS -4.27 Relay (1.0) Calculated Property
logPoct/wat 2.786 Crippen Calculated Property
McVol 197.200 ml/mol McGowan Calculated Property
Inp [2368.00; 2368.00]   Show Hide
Inp 2368.00 NIST
Inp 2368.00 NIST
Tfus 393.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [514.63; 575.10] J/mol×K [749.98; 974.85] Show Hide
Cp,gas 514.63 J/mol×K 749.98 Joback Calculated Property
Cp,gas 526.88 J/mol×K 787.46 Joback Calculated Property
Cp,gas 538.20 J/mol×K 824.94 Joback Calculated Property
Cp,gas 548.65 J/mol×K 862.42 Joback Calculated Property
Cp,gas 558.25 J/mol×K 899.90 Joback Calculated Property
Cp,gas 567.05 J/mol×K 937.37 Joback Calculated Property
Cp,gas 575.10 J/mol×K 974.85 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Fumaric acid, monoamide, N-(4-chlorophenyl)-, isopropyl ester.

Sources

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