Chemical Properties of Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester

Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester

InChI
InChI=1S/C19H16F4O4/c1-2-10-26-17(24)12-6-8-13(9-7-12)18(25)27-11-14-15(19(21,22)23)4-3-5-16(14)20/h3-9H,2,10-11H2,1H3
InChI Key
DTQSTEKYSSRZKH-UHFFFAOYSA-N
Formula
C19H16F4O4
SMILES
CCCOC(=O)c1ccc(C(=O)OCc2c(F)cccc2C(F)(F)F)cc1
Molecular Weight1
384.32
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Physical Properties

Property Value Unit Source
ω 0.8612 Relay (1.0) Calculated Property
ΔfusH° 45.52 kJ/mol Joback Calculated Property
log10WS -5.90 Relay (1.0) Calculated Property
logPoct/wat 4.768 Crippen Calculated Property
McVol 253.010 ml/mol McGowan Calculated Property
Pc 1506.98 kPa Joback Calculated Property
Inp [2698.00; 2698.00]   Show Hide
Inp 2698.00 NIST
Inp 2698.00 NIST
Tboil 650.05 K Relay (1.0) Calculated Property
Tc 854.97 K Relay (1.0) Calculated Property
Tfus 336.34 K Relay (1.0) Calculated Property
Vc 0.928 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 [365.69; 799.35] 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 A1.14130e+01
Coefficient B1.53592e+00
Coefficient C-9.19280e-04
Coefficient D1.71300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 365.69 J/mol×K 273.00 Calculated Property
Cp,gas 447.32 J/mol×K 353.78 Calculated Property
Cp,gas 519.32 J/mol×K 434.56 Calculated Property
Cp,gas 582.24 J/mol×K 515.33 Calculated Property
Cp,gas 636.61 J/mol×K 596.11 Calculated Property
Cp,gas 682.99 J/mol×K 676.89 Calculated Property
Cp,gas 721.91 J/mol×K 757.67 Calculated Property
Cp,gas 753.92 J/mol×K 838.44 Calculated Property
Cp,gas 779.55 J/mol×K 919.22 Calculated Property
Cp,gas 799.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl hexyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptyl ester. Terephthalic acid, decyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl octyl ester. Terephthalic acid, di(2-fluoro-6-(trifluoromethyl)benzyl) ester. 4-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. Phthalic acid, propyl 2-trifluoromethylbenzyl ester. 3-Methoxybenzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester. Phthalic acid, butyl 2-trifluoromethylbenzyl ester. 2-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester.

Find more compounds similar to Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester.

Sources

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