Chemical Properties of Diethylmalonic acid, monochloride, 3,4,5-trifluorobenzyl ester

Diethylmalonic acid, monochloride, 3,4,5-trifluorobenzyl ester

InChI
InChI=1S/C14H14ClF3O3/c1-3-14(4-2,12(15)19)13(20)21-7-8-5-9(16)11(18)10(17)6-8/h5-6H,3-4,7H2,1-2H3
InChI Key
UXYNUOAVSGTKAE-UHFFFAOYSA-N
Formula
C14H14ClF3O3
SMILES
CCC(CC)(C(=O)Cl)C(=O)OCc1cc(F)c(F)c(F)c1
Molecular Weight1
322.71
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Physical Properties

Property Value Unit Source
ΔfusH° 36.88 kJ/mol Joback Calculated Property
logPoct/wat 3.719 Crippen Calculated Property
McVol 210.920 ml/mol McGowan Calculated Property
Inp [1710.00; 1710.00]   Show Hide
Inp 1710.00 NIST
Inp 1710.00 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 [560.17; 621.43] J/mol×K [705.64; 902.71] Show Hide
Cp,gas 560.17 J/mol×K 705.64 Joback Calculated Property
Cp,gas 572.39 J/mol×K 738.49 Joback Calculated Property
Cp,gas 583.77 J/mol×K 771.33 Joback Calculated Property
Cp,gas 594.33 J/mol×K 804.18 Joback Calculated Property
Cp,gas 604.11 J/mol×K 837.02 Joback Calculated Property
Cp,gas 613.13 J/mol×K 869.87 Joback Calculated Property
Cp,gas 621.43 J/mol×K 902.71 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Diethylmalonic acid, monochloride, 3,4,5-trifluorobenzyl ester.

Sources

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