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

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

InChI
InChI=1S/C16H10Cl2F2O5/c17-9-3-1-5-11(19)15(9)24-13(21)7-23-8-14(22)25-16-10(18)4-2-6-12(16)20/h1-6H,7-8H2
InChI Key
NQZBCBAJCFLKCS-UHFFFAOYSA-N
Formula
C16H10Cl2F2O5
SMILES
O=C(COCC(=O)Oc1c(F)cccc1Cl)Oc1c(F)cccc1Cl
Molecular Weight1
391.15
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Physical Properties

Property Value Unit Source
ΔfusH° 48.20 kJ/mol Joback Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
logPoct/wat 3.799 Crippen Calculated Property
McVol 237.550 ml/mol McGowan Calculated Property
Inp [3062.00; 3062.00]   Show Hide
Inp 3062.00 NIST
Inp 3062.00 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 [331.88; 660.97] 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 A9.20120e+01
Coefficient B9.92400e-01
Coefficient C-4.14240e-04
Coefficient D-9.20000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 331.88 J/mol×K 273.00 Calculated Property
Cp,gas 390.85 J/mol×K 353.78 Calculated Property
Cp,gas 444.29 J/mol×K 434.56 Calculated Property
Cp,gas 492.16 J/mol×K 515.33 Calculated Property
Cp,gas 534.44 J/mol×K 596.11 Calculated Property
Cp,gas 571.11 J/mol×K 676.89 Calculated Property
Cp,gas 602.12 J/mol×K 757.67 Calculated Property
Cp,gas 627.46 J/mol×K 838.44 Calculated Property
Cp,gas 647.08 J/mol×K 919.22 Calculated Property
Cp,gas 660.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diglycolic acid, 2-chloro-6-fluorophenyl ethyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl propyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl isobutyl ester. Diglycolic acid, di(2,6-dichlorophenyl) ester. Diglycolic acid, butyl 2-chloro-6-fluorophenyl ester. Diglycolic acid, di(2-chlorophenyl) ester. Diglycolic acid, 2-chloro-6-fluorophenyl pentyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl hexyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl heptyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl nonyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl octyl ester. Fumaric acid, 4-chlorophenyl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,6-dichlorophenyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl isohexyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,4,6-trichlorophenyl ester.

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

Sources

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