Chemical Properties of Terephthalic acid, di(4-trifluoromethoxybenzyl) ester

Terephthalic acid, di(4-trifluoromethoxybenzyl) ester

InChI
InChI=1S/C24H16F6O6/c25-23(26,27)35-19-9-1-15(2-10-19)13-33-21(31)17-5-7-18(8-6-17)22(32)34-14-16-3-11-20(12-4-16)36-24(28,29)30/h1-12H,13-14H2
InChI Key
DWLQRKMEBGXRFF-UHFFFAOYSA-N
Formula
C24H16F6O6
SMILES
O=C(OCc1ccc(OC(F)(F)F)cc1)c1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1
Molecular Weight1
514.37
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Physical Properties

Property Value Unit Source
ΔfusH° 53.64 kJ/mol Joback Calculated Property
log10WS -7.56 Relay (1.0) Calculated Property
logPoct/wat 6.198 Crippen Calculated Property
McVol 314.980 ml/mol McGowan Calculated Property
Inp [2101.00; 2101.00]   Show Hide
Inp 2101.00 NIST
Inp 2101.00 NIST
Tboil 714.04 K Relay (1.0) Calculated Property
Tfus 344.98 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 [460.25; 991.39] 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 A1.16720e+01
Coefficient B1.95500e+00
Coefficient C-1.20508e-03
Coefficient D2.29800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 460.25 J/mol×K 273.00 Calculated Property
Cp,gas 562.66 J/mol×K 353.78 Calculated Property
Cp,gas 652.52 J/mol×K 434.56 Calculated Property
Cp,gas 730.57 J/mol×K 515.33 Calculated Property
Cp,gas 797.52 J/mol×K 596.11 Calculated Property
Cp,gas 854.12 J/mol×K 676.89 Calculated Property
Cp,gas 901.07 J/mol×K 757.67 Calculated Property
Cp,gas 939.12 J/mol×K 838.44 Calculated Property
Cp,gas 968.98 J/mol×K 919.22 Calculated Property
Cp,gas 991.39 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, ethyl 4-trifluoromethoxybenzyl ester. Phthalic acid, di(4-trifluoromethoxybenzyl) ester. Terephthalic acid, propyl 4-trifluoromethoxybenzyl ester. Terephthalic acid, isobutyl 4-trifluoromethoxybenzyl ester. Formic acid, (4-(trifluoromethoxy)phenyl)methyl ester. Phthalic acid, ethyl 4-trifluoromethoxybenzyl ester. Benzyl 4-hydroxybenzoate. Isophthalic acid, ethyl 4-methoxybenzyl ester. Terephthalic acid, butyl 4-trifluoromethoxybenzyl ester. METHYL 4-(METHOXYCARBONYL)BENZYL TEREPHTHALATE. 4-Methoxybenzoic acid, 3-chlorobenzyl ester. Terephthalic acid, pentyl 4-trifluoromethoxybenzyl ester. Isonicotinic acid, (4-methoxyphenyl)methyl ester. Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester. Terephthalic acid, hexyl 4-trifluoromethoxybenzyl ester.

Find more compounds similar to Terephthalic acid, di(4-trifluoromethoxybenzyl) ester.

Sources

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