Chemical Properties of Diethylmalonic acid, monochloride, 2,3,4-trifluorophenyl ester

Diethylmalonic acid, monochloride, 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C13H12ClF3O3/c1-3-13(4-2,11(14)18)12(19)20-8-6-5-7(15)9(16)10(8)17/h5-6H,3-4H2,1-2H3
InChI Key
LIZWWFUSPVUKPS-UHFFFAOYSA-N
Formula
C13H12ClF3O3
SMILES
CCC(CC)(C(=O)Cl)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
308.68
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Physical Properties

Property Value Unit Source
ΔfusH° 34.29 kJ/mol Joback Calculated Property
logPoct/wat 3.581 Crippen Calculated Property
McVol 196.830 ml/mol McGowan Calculated Property
Inp 1579.00 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 [285.46; 590.44] 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 A3.95220e+01
Coefficient B1.06664e+00
Coefficient C-6.41580e-04
Coefficient D1.25860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 285.46 J/mol×K 273.00 Calculated Property
Cp,gas 342.15 J/mol×K 353.78 Calculated Property
Cp,gas 392.21 J/mol×K 434.56 Calculated Property
Cp,gas 436.04 J/mol×K 515.33 Calculated Property
Cp,gas 474.03 J/mol×K 596.11 Calculated Property
Cp,gas 506.59 J/mol×K 676.89 Calculated Property
Cp,gas 534.12 J/mol×K 757.67 Calculated Property
Cp,gas 557.00 J/mol×K 838.44 Calculated Property
Cp,gas 575.64 J/mol×K 919.22 Calculated Property
Cp,gas 590.44 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, monochloride, 2-fluorophenyl ester. Diethylmalonic acid, di(2,3,4-trifluorophenyl) ester. Diethylmalonic acid, monochloride, 3-fluorophenyl ester. Diethylmalonic acid, monochloride, 2-chloro-6-fluorophenyl ester. Diethylmalonic acid, monochloride, 4-fluoro-2-methoxyphenyl ester. Diethylmalonic acid, ethyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, monochloride, 2-fluoro-3-trifluoromethylphenyl ester. 2-Ethylbutyric acid, 2,3,4-trifluorophenyl ester. Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, isobutyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to Diethylmalonic acid, monochloride, 2,3,4-trifluorophenyl ester.

Sources

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