Chemical Properties of Diethylmalonic acid, monochloride, 2-chloro-6-fluorophenyl ester

Diethylmalonic acid, monochloride, 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C13H13Cl2FO3/c1-3-13(4-2,11(15)17)12(18)19-10-8(14)6-5-7-9(10)16/h5-7H,3-4H2,1-2H3
InChI Key
VFEWYRDECGUHDX-UHFFFAOYSA-N
Formula
C13H13Cl2FO3
SMILES
CCC(CC)(C(=O)Cl)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
307.14
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Physical Properties

Property Value Unit Source
ΔfusH° 32.72 kJ/mol Joback Calculated Property
IE 8.96 eV Relay (1.0) Calculated Property
logPoct/wat 3.956 Crippen Calculated Property
McVol 205.530 ml/mol McGowan Calculated Property
Inp [1825.00; 1825.00]   Show Hide
Inp 1825.00 NIST
Inp 1825.00 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, 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 [279.92; 587.61] 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 A2.59320e+01
Coefficient B1.10934e+00
Coefficient C-6.96220e-04
Coefficient D1.48560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 279.92 J/mol×K 273.00 Calculated Property
Cp,gas 337.83 J/mol×K 353.78 Calculated Property
Cp,gas 388.72 J/mol×K 434.56 Calculated Property
Cp,gas 433.05 J/mol×K 515.33 Calculated Property
Cp,gas 471.29 J/mol×K 596.11 Calculated Property
Cp,gas 503.91 J/mol×K 676.89 Calculated Property
Cp,gas 531.39 J/mol×K 757.67 Calculated Property
Cp,gas 554.18 J/mol×K 838.44 Calculated Property
Cp,gas 572.77 J/mol×K 919.22 Calculated Property
Cp,gas 587.61 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, di(2-chloro-6-fluorophenyl) ester. Diethylmalonic acid, monochloride, 2-fluorophenyl ester. Diethylmalonic acid, monochloride, 2,6-dichlorophenyl ester. Diethylmalonic acid, monochloride, 2-chlorophenyl ester. Diethylmalonic acid, monochloride, 2,3,6-trichlorophenyl ester. Diethylmalonic acid, monochloride, 2,4-dichlorophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester. Diethylmalonic acid, monochloride, 2,4,6-trichlorophenyl ester. Diethylmalonic acid, monochloride, 2,3-dichlorophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester. Diethylmalonic acid, monochloride, 2,4-dichloronaphth-1-yl ester. Diethylmalonic acid, monochloride, 2,4,5-trichlorophenyl ester. Diethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. 2-Ethylbutyric acid, 2-chloro-6-fluorophenyl ester.

Find more compounds similar to Diethylmalonic acid, monochloride, 2-chloro-6-fluorophenyl ester.

Sources

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