Chemical Properties of Diethylmalonic acid, monochloride, 3,4-difluorobenzyl ester

Diethylmalonic acid, monochloride, 3,4-difluorobenzyl ester

InChI
InChI=1S/C14H15ClF2O3/c1-3-14(4-2,12(15)18)13(19)20-8-9-5-6-10(16)11(17)7-9/h5-7H,3-4,8H2,1-2H3
InChI Key
KSDRHKAAYKYYMG-UHFFFAOYSA-N
Formula
C14H15ClF2O3
SMILES
CCC(CC)(C(=O)Cl)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
304.72
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Physical Properties

Property Value Unit Source
ΔfusH° 34.19 kJ/mol Joback Calculated Property
logPoct/wat 3.580 Crippen Calculated Property
McVol 209.150 ml/mol McGowan Calculated Property
Inp 1743.00 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 [295.92; 638.00] 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 A1.82230e+01
Coefficient B1.20934e+00
Coefficient C-7.46620e-04
Coefficient D1.57060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 295.92 J/mol×K 273.00 Calculated Property
Cp,gas 359.57 J/mol×K 353.78 Calculated Property
Cp,gas 415.65 J/mol×K 434.56 Calculated Property
Cp,gas 464.65 J/mol×K 515.33 Calculated Property
Cp,gas 507.08 J/mol×K 596.11 Calculated Property
Cp,gas 543.44 J/mol×K 676.89 Calculated Property
Cp,gas 574.21 J/mol×K 757.67 Calculated Property
Cp,gas 599.90 J/mol×K 838.44 Calculated Property
Cp,gas 620.99 J/mol×K 919.22 Calculated Property
Cp,gas 638.00 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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