Chemical Properties of Dimethylmalonic acid, di(2-chloro-6-fluorophenyl) ester

Dimethylmalonic acid, di(2-chloro-6-fluorophenyl) ester

InChI
InChI=1S/C17H12Cl2F2O4/c1-17(2,15(22)24-13-9(18)5-3-7-11(13)20)16(23)25-14-10(19)6-4-8-12(14)21/h3-8H,1-2H3
InChI Key
SPBYYSCSYSLWKH-UHFFFAOYSA-N
Formula
C17H12Cl2F2O4
SMILES
CC(C)(C(=O)Oc1c(F)cccc1Cl)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
389.18
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Physical Properties

Property Value Unit Source
ΔfusH° 42.19 kJ/mol Joback Calculated Property
IE 8.78 eV Relay (1.0) Calculated Property
logPoct/wat 4.809 Crippen Calculated Property
McVol 245.770 ml/mol McGowan Calculated Property
Inp [2462.00; 2462.00]   Show Hide
Inp 2462.00 NIST
Inp 2462.00 NIST
Tboil 590.79 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [336.23; 695.53] 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 A4.11300e+01
Coefficient B1.27644e+00
Coefficient C-7.51440e-04
Coefficient D1.29400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 336.23 J/mol×K 273.00 Calculated Property
Cp,gas 404.39 J/mol×K 353.78 Calculated Property
Cp,gas 464.53 J/mol×K 434.56 Calculated Property
Cp,gas 517.07 J/mol×K 515.33 Calculated Property
Cp,gas 562.42 J/mol×K 596.11 Calculated Property
Cp,gas 600.98 J/mol×K 676.89 Calculated Property
Cp,gas 633.16 J/mol×K 757.67 Calculated Property
Cp,gas 659.37 J/mol×K 838.44 Calculated Property
Cp,gas 680.03 J/mol×K 919.22 Calculated Property
Cp,gas 695.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester. Diethylmalonic acid, di(2-chloro-6-fluorophenyl) ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester. Dimethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Diethylmalonic acid, monochloride, 2-chloro-6-fluorophenyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester.

Find more compounds similar to Dimethylmalonic acid, di(2-chloro-6-fluorophenyl) ester.

Sources

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