Chemical Properties of Terephthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester

Terephthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester

InChI
InChI=1S/C24H16F6O4/c25-23(26,27)19(15-7-3-1-4-8-15)33-21(31)17-11-13-18(14-12-17)22(32)34-20(24(28,29)30)16-9-5-2-6-10-16/h1-14,19-20H
InChI Key
HSOPHXVPQUPZRD-UHFFFAOYSA-N
Formula
C24H16F6O4
SMILES
O=C(OC(c1ccccc1)C(F)(F)F)c1ccc(C(=O)OC(c2ccccc2)C(F)(F)F)cc1
Molecular Weight1
482.37
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Physical Properties

Property Value Unit Source
ΔfH°gas -1714.40 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.99 kJ/mol Joback Calculated Property
logPoct/wat 6.607 Crippen Calculated Property
McVol 303.240 ml/mol McGowan Calculated Property
Inp [2135.00; 2135.00]   Show Hide
Inp 2135.00 NIST
Inp 2135.00 NIST
Tboil 683.15 K Relay (1.0) Calculated Property
Tfus 389.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [423.71; 961.55] 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 A-7.12900e+01
Coefficient B2.21220e+00
Coefficient C-1.56756e-03
Coefficient D3.88200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 423.71 J/mol×K 273.00 Calculated Property
Cp,gas 532.33 J/mol×K 353.78 Calculated Property
Cp,gas 625.87 J/mol×K 434.56 Calculated Property
Cp,gas 705.56 J/mol×K 515.33 Calculated Property
Cp,gas 772.63 J/mol×K 596.11 Calculated Property
Cp,gas 828.30 J/mol×K 676.89 Calculated Property
Cp,gas 873.79 J/mol×K 757.67 Calculated Property
Cp,gas 910.35 J/mol×K 838.44 Calculated Property
Cp,gas 939.19 J/mol×K 919.22 Calculated Property
Cp,gas 961.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester. Terephthalic acid, propyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, isobutyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, butyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, pentyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, hexyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, heptyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, propyl 2,2,2-trifluoro-1-phenylethyl ester. Terephthalic acid, octyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, isobutyl 2,2,2-trifluoro-1-phenylethyl ester. Phthalic acid, butyl 2,2,2-trifluoro-1-phenylethyl ester. Benzoic acid, 1-phenylethyl ester. .alpha.-Cyanobenzyl benzoate.

Find more compounds similar to Terephthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester.

Sources

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