Chemical Properties of Phthalic acid, di(2,3,6-trifluorobenzyl) ester

Phthalic acid, di(2,3,6-trifluorobenzyl) ester

InChI
InChI=1S/C22H12F6O4/c23-12-7-11(19(27)18(26)8-12)9-31-21(29)13-3-1-2-4-14(13)22(30)32-10-15-16(24)5-6-17(25)20(15)28/h1-8H,9-10H2
InChI Key
HBMGJRRVGGKFNE-UHFFFAOYSA-N
Formula
C22H12F6O4
SMILES
O=C(OCc1cc(F)cc(F)c1F)c1ccccc1C(=O)OCc1c(F)ccc(F)c1F
Molecular Weight1
454.32
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Physical Properties

Property Value Unit Source
ΔfusH° 59.35 kJ/mol Joback Calculated Property
logPoct/wat 5.235 Crippen Calculated Property
McVol 275.060 ml/mol McGowan Calculated Property
Inp 2711.00 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 [400.14; 836.11] 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 A6.86320e+01
Coefficient B1.40180e+00
Coefficient C-7.06520e-04
Coefficient D7.22000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 400.14 J/mol×K 273.00 Calculated Property
Cp,gas 479.33 J/mol×K 353.78 Calculated Property
Cp,gas 550.30 J/mol×K 434.56 Calculated Property
Cp,gas 613.28 J/mol×K 515.33 Calculated Property
Cp,gas 668.49 J/mol×K 596.11 Calculated Property
Cp,gas 716.17 J/mol×K 676.89 Calculated Property
Cp,gas 756.55 J/mol×K 757.67 Calculated Property
Cp,gas 789.84 J/mol×K 838.44 Calculated Property
Cp,gas 816.29 J/mol×K 919.22 Calculated Property
Cp,gas 836.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phthalic acid, di(2,5-difluorobenzyl) ester. Phthalic acid, di(2,3,4,5-tetrafluorobenzyl) ester. Phthalic acid, di(2,4,5-trifluorobenzyl) ester. Phthalic acid, 2,5-difluorobenzyl ethyl ester. Phthalic acid, ethyl 2,3,4,5-tetrafluorobenzyl ester. Phthalic acid, ethyl 2,4,5-trifluorobenzyl ester. Phthalic acid, di(3,4,5-trifluorobenzyl) ester. Terephthalic acid, di(2,3,5-trifluorobenzyl) ester. Phthalic acid, propyl 2,3,4,5-tetrafluorobenzyl ester. Phthalic acid, isobutyl 2,3,6-trifluorobenzyl ester. Phthalic acid, propyl 2,4,5-trifluorobenzyl ester. Benzoic acid, (2,3,6-trifluorophenyl)methyl ester. Phthalic acid, 2,5-difluorobenzyl isobutyl ester. Phthalic acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester. Phthalic acid, isobutyl 2,4,5-trifluorobenzyl ester.

Find more compounds similar to Phthalic acid, di(2,3,6-trifluorobenzyl) ester.

Sources

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