Chemical Properties of Terephthalic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester

Terephthalic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C15H17F3O4/c1-9(2)8-21-13(19)11-4-6-12(7-5-11)14(20)22-10(3)15(16,17)18/h4-7,9-10H,8H2,1-3H3
InChI Key
DXJZXHUILNIGMY-UHFFFAOYSA-N
Formula
C15H17F3O4
SMILES
CC(C)COC(=O)c1ccc(C(=O)OC(C)C(F)(F)F)cc1
Molecular Weight1
318.29
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Physical Properties

Property Value Unit Source
ΔfusH° 31.78 kJ/mol Joback Calculated Property
log10WS -4.47 Relay (1.0) Calculated Property
logPoct/wat 3.607 Crippen Calculated Property
McVol 218.640 ml/mol McGowan Calculated Property
Inp [1840.00; 1840.00]   Show Hide
Inp 1840.00 NIST
Inp 1840.00 NIST
Tboil 574.35 K Relay (1.0) Calculated Property
Tfus 316.81 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 [324.16; 711.60] 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 A1.09010e+01
Coefficient B1.35386e+00
Coefficient C-7.94560e-04
Coefficient D1.41400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.16 J/mol×K 273.00 Calculated Property
Cp,gas 396.68 J/mol×K 353.78 Calculated Property
Cp,gas 460.79 J/mol×K 434.56 Calculated Property
Cp,gas 516.93 J/mol×K 515.33 Calculated Property
Cp,gas 565.56 J/mol×K 596.11 Calculated Property
Cp,gas 607.12 J/mol×K 676.89 Calculated Property
Cp,gas 642.05 J/mol×K 757.67 Calculated Property
Cp,gas 670.81 J/mol×K 838.44 Calculated Property
Cp,gas 693.85 J/mol×K 919.22 Calculated Property
Cp,gas 711.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, propyl 1,1,1-trifluoroprop-2-yl ester. Terephthalic acid, isobutyl 2,2,2-trifluoroethyl ester. Terephthalic acid, butyl 1,1,1-trifluoroprop-2-yl ester. 1,4-Benzenedicarboxylic acid, bis(2-methylpropyl) ester. Terephthalic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester. Terephthalic acid, di(1,1,1-trifluoroprop-2-yl) ester. Isophthalic acid, but-3-yn-2-yl isobutyl ester. Terephthalic acid, isobutyl 3-methylbut-2-yl ester. Terephthalic acid, pentyl 1,1,1-trifluoroprop-2-yl ester. Benzoic acid, 2-methylpropyl ester. Terephthalic acid, hexyl 1,1,1-trifluoroprop-2-yl ester. Terephthalic acid, propyl 2,2,2-trifluoroethyl ester. Benzoic acid, 4-methyl-, 2-methylpropyl ester. Terephthalic acid, 2,2-dichloroethyl isobutyl ester. Terephthalic acid, heptyl 1,1,1-trifluoroprop-2-yl ester.

Find more compounds similar to Terephthalic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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