Chemical Properties of Terephthalic acid, isobutyl 4-(trifluoromethyl)benzyl ester

Terephthalic acid, isobutyl 4-(trifluoromethyl)benzyl ester

InChI
InChI=1S/C20H19F3O4/c1-13(2)11-26-18(24)15-5-7-16(8-6-15)19(25)27-12-14-3-9-17(10-4-14)20(21,22)23/h3-10,13H,11-12H2,1-2H3
InChI Key
CDVWOWSCKBQRHA-UHFFFAOYSA-N
Formula
C20H19F3O4
SMILES
CC(C)COC(=O)c1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1
Molecular Weight1
380.36
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Physical Properties

Property Value Unit Source
ΔfusH° 41.90 kJ/mol Joback Calculated Property
log10WS -5.66 Relay (1.0) Calculated Property
logPoct/wat 4.875 Crippen Calculated Property
McVol 265.330 ml/mol McGowan Calculated Property
Inp [2761.00; 2761.00]   Show Hide
Inp 2761.00 NIST
Inp 2761.00 NIST
Tboil 655.28 K Relay (1.0) Calculated Property
Tfus 340.19 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [794.68; 856.80] J/mol×K [831.10; 1042.92] Show Hide
Cp,gas 794.68 J/mol×K 831.10 Joback Calculated Property
Cp,gas 807.99 J/mol×K 866.40 Joback Calculated Property
Cp,gas 820.04 J/mol×K 901.71 Joback Calculated Property
Cp,gas 830.89 J/mol×K 937.01 Joback Calculated Property
Cp,gas 840.60 J/mol×K 972.31 Joback Calculated Property
Cp,gas 849.22 J/mol×K 1007.62 Joback Calculated Property
Cp,gas 856.80 J/mol×K 1042.92 Joback Calculated Property

Similar Compounds

Terephthalic acid, propyl 4-(trifluoromethyl)benzyl ester. Terephthalic acid, butyl 4-(trifluoromethyl)benzyl ester. Terephthalic acid, pentyl 4-(trifluoromethyl)benzyl ester. Terephthalic acid, hexyl 4-(trifluoromethyl)benzyl ester. Terephthalic acid, heptyl 4-(trifluoromethyl)benzyl ester. Terephthalic acid, isobutyl 4-nitrobenzyl ester. Terephthalic acid, isobutyl 3-fluorobenzyl ester. Terephthalic acid, 3-bromobenzyl isobutyl ester. Terephthalic acid, ethyl 4-(trifluoromethyl)benzyl ester. Terephthalic acid, isobutyl 4-trifluoromethoxybenzyl ester. Terephthalic acid, 2-fluorobenzyl isobutyl ester. Terephthalic acid, 2-bromobenzyl isobutyl ester. Terephthalic acid, isobutyl 3,4,5-trifluorobenzyl ester. 4-(Trifluoromethyl)phenyl methanol, 2-methylpropyl ether. Phthalic acid, isobutyl 2-trifluoromethylbenzyl ester.

Find more compounds similar to Terephthalic acid, isobutyl 4-(trifluoromethyl)benzyl ester.

Sources

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