Chemical Properties of Terephthalic acid, isobutyl 2,2,2-trifluoro-1-phenylethyl ester

Terephthalic acid, isobutyl 2,2,2-trifluoro-1-phenylethyl ester

InChI
InChI=1S/C20H19F3O4/c1-13(2)12-26-18(24)15-8-10-16(11-9-15)19(25)27-17(20(21,22)23)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChI Key
JWWRFQFVRSKPIX-UHFFFAOYSA-N
Formula
C20H19F3O4
SMILES
CC(C)COC(=O)c1ccc(C(=O)OC(c2ccccc2)C(F)(F)F)cc1
Molecular Weight1
380.36
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Physical Properties

Property Value Unit Source
ΔfusH° 38.77 kJ/mol Joback Calculated Property
log10WS -5.23 Relay (1.0) Calculated Property
logPoct/wat 4.960 Crippen Calculated Property
McVol 265.330 ml/mol McGowan Calculated Property
Inp [2308.00; 2308.00]   Show Hide
Inp 2308.00 NIST
Inp 2308.00 NIST
Tboil 644.08 K Relay (1.0) Calculated Property
Tfus 330.82 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [372.98; 851.03] 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-2.75490e+01
Coefficient B1.74994e+00
Coefficient C-1.09776e-03
Coefficient D2.26400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 372.98 J/mol×K 273.00 Calculated Property
Cp,gas 464.17 J/mol×K 353.78 Calculated Property
Cp,gas 544.18 J/mol×K 434.56 Calculated Property
Cp,gas 613.71 J/mol×K 515.33 Calculated Property
Cp,gas 673.48 J/mol×K 596.11 Calculated Property
Cp,gas 724.21 J/mol×K 676.89 Calculated Property
Cp,gas 766.62 J/mol×K 757.67 Calculated Property
Cp,gas 801.41 J/mol×K 838.44 Calculated Property
Cp,gas 829.31 J/mol×K 919.22 Calculated Property
Cp,gas 851.03 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to Terephthalic acid, isobutyl 2,2,2-trifluoro-1-phenylethyl ester.

Sources

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