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

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

InChI
InChI=1S/C15H18ClNO3/c1-15(2,3)10-20-14(19)9-8-13(18)17-12-6-4-11(16)5-7-12/h4-9H,10H2,1-3H3,(H,17,18)/b9-8+
InChI Key
BMLAGWCMYYTMAV-CMDGGOBGSA-N
Formula
C15H18ClNO3
SMILES
CC(C)(C)COC(=O)C=CC(=O)Nc1ccc(Cl)cc1
Molecular Weight1
295.76
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Physical Properties

Property Value Unit Source
ΔfusH° 34.73 kJ/mol Joback Calculated Property
IE 8.48 eV Relay (1.0) Calculated Property
log10WS -5.01 Relay (1.0) Calculated Property
logPoct/wat 3.424 Crippen Calculated Property
McVol 225.380 ml/mol McGowan Calculated Property
Inp 2538.00 NIST
Tfus 442.79 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 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 [623.28; 688.39] J/mol×K [792.95; 1017.99] Show Hide
Cp,gas 623.28 J/mol×K 792.95 Joback Calculated Property
Cp,gas 636.35 J/mol×K 830.46 Joback Calculated Property
Cp,gas 648.43 J/mol×K 867.96 Joback Calculated Property
Cp,gas 659.60 J/mol×K 905.47 Joback Calculated Property
Cp,gas 669.94 J/mol×K 942.98 Joback Calculated Property
Cp,gas 679.51 J/mol×K 980.48 Joback Calculated Property
Cp,gas 688.39 J/mol×K 1017.99 Joback Calculated Property

Similar Compounds

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

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

Sources

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