Chemical Properties of Diethylmalonic acid, monochloride, 2,4,5-trifluorobenzyl ester

Diethylmalonic acid, monochloride, 2,4,5-trifluorobenzyl ester

InChI
InChI=1S/C14H14ClF3O3/c1-3-14(4-2,12(15)19)13(20)21-7-8-5-10(17)11(18)6-9(8)16/h5-6H,3-4,7H2,1-2H3
InChI Key
OIMREWLLSOERQW-UHFFFAOYSA-N
Formula
C14H14ClF3O3
SMILES
CCC(CC)(C(=O)Cl)C(=O)OCc1cc(F)c(F)cc1F
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 [1692.00; 1692.00]   Show Hide
Inp 1692.00 NIST
Inp 1692.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [306.67; 642.03] 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 A3.86130e+01
Coefficient B1.16164e+00
Coefficient C-6.95980e-04
Coefficient D1.37760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 306.67 J/mol×K 273.00 Calculated Property
Cp,gas 368.57 J/mol×K 353.78 Calculated Property
Cp,gas 423.29 J/mol×K 434.56 Calculated Property
Cp,gas 471.27 J/mol×K 515.33 Calculated Property
Cp,gas 512.95 J/mol×K 596.11 Calculated Property
Cp,gas 548.76 J/mol×K 676.89 Calculated Property
Cp,gas 579.13 J/mol×K 757.67 Calculated Property
Cp,gas 604.52 J/mol×K 838.44 Calculated Property
Cp,gas 625.34 J/mol×K 919.22 Calculated Property
Cp,gas 642.03 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, di(2,4,5-trifluorobenzyl) ester. Diethylmalonic acid, monochloride, 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, monochloride, 3,4-difluorobenzyl ester. Diethylmalonic acid, ethyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, monochloride, pentafluorobenzyl ester. Diethylmalonic acid, propyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, isobutyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, butyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, hexyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tetradecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester.

Find more compounds similar to Diethylmalonic acid, monochloride, 2,4,5-trifluorobenzyl ester.

Sources

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