Chemical Properties of Diethylmalonic acid, monochloride, 4-trifluoromethylbenzyl ester

Diethylmalonic acid, monochloride, 4-trifluoromethylbenzyl ester

InChI
InChI=1S/C15H16ClF3O3/c1-3-14(4-2,12(16)20)13(21)22-9-10-5-7-11(8-6-10)15(17,18)19/h5-8H,3-4,9H2,1-2H3
InChI Key
MKMLKQSWQCRBMT-UHFFFAOYSA-N
Formula
C15H16ClF3O3
SMILES
CCC(CC)(C(=O)Cl)C(=O)OCc1ccc(C(F)(F)F)cc1
Molecular Weight1
336.73
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Physical Properties

Property Value Unit Source
ΔfusH° 31.25 kJ/mol Joback Calculated Property
logPoct/wat 4.320 Crippen Calculated Property
McVol 225.010 ml/mol McGowan Calculated Property
Inp 1748.00 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, Ionization energy, 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 [621.59; 686.08] J/mol×K [733.20; 937.43] Show Hide
Cp,gas 621.59 J/mol×K 733.20 Joback Calculated Property
Cp,gas 634.52 J/mol×K 767.24 Joback Calculated Property
Cp,gas 646.49 J/mol×K 801.28 Joback Calculated Property
Cp,gas 657.57 J/mol×K 835.32 Joback Calculated Property
Cp,gas 667.82 J/mol×K 869.36 Joback Calculated Property
Cp,gas 677.30 J/mol×K 903.39 Joback Calculated Property
Cp,gas 686.08 J/mol×K 937.43 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, monochloride, 3-methylbenzyl ester. Diethylmalonic acid, monochloride, 2-naphthylmethyl ester. Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester. Diethylmalonic acid, monochloride, 3-chlorobenzyl ester. Diethylmalonic acid, monochloride, 3,4-difluorobenzyl ester. Diethylmalonic acid, ethyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, propyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, hexyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, heptyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, octyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, monochloride, 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, di(3-methylbenzyl) ester.

Find more compounds similar to Diethylmalonic acid, monochloride, 4-trifluoromethylbenzyl ester.

Sources

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