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

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

InChI
InChI=1S/C24H26F4O4/c1-2-3-4-5-6-7-15-31-22(29)17-11-13-18(14-12-17)23(30)32-16-19-20(24(26,27)28)9-8-10-21(19)25/h8-14H,2-7,15-16H2,1H3
InChI Key
RXYBBTSEQOZSGS-UHFFFAOYSA-N
Formula
C24H26F4O4
SMILES
CCCCCCCCOC(=O)c1ccc(C(=O)OCc2c(F)cccc2C(F)(F)F)cc1
Molecular Weight1
454.45
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Physical Properties

Property Value Unit Source
ω 1.0712 Relay (1.0) Calculated Property
ΔfusH° 58.47 kJ/mol Joback Calculated Property
log10WS -7.48 Relay (1.0) Calculated Property
logPoct/wat 6.719 Crippen Calculated Property
McVol 323.460 ml/mol McGowan Calculated Property
Pc 1070.76 kPa Joback Calculated Property
Inp [3209.00; 3209.00]   Show Hide
Inp 3209.00 NIST
Inp 3209.00 NIST
Tboil 689.51 K Relay (1.0) Calculated Property
Tc 900.11 K Relay (1.0) Calculated Property
Tfus 329.57 K Relay (1.0) Calculated Property
Vc 1.195 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 [471.76; 1057.31] 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 A6.86800e+00
Coefficient B2.01092e+00
Coefficient C-1.19128e-03
Coefficient D2.30800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 471.76 J/mol×K 273.00 Calculated Property
Cp,gas 579.41 J/mol×K 353.78 Calculated Property
Cp,gas 674.70 J/mol×K 434.56 Calculated Property
Cp,gas 758.38 J/mol×K 515.33 Calculated Property
Cp,gas 831.17 J/mol×K 596.11 Calculated Property
Cp,gas 893.80 J/mol×K 676.89 Calculated Property
Cp,gas 947.00 J/mol×K 757.67 Calculated Property
Cp,gas 991.49 J/mol×K 838.44 Calculated Property
Cp,gas 1028.02 J/mol×K 919.22 Calculated Property
Cp,gas 1057.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl 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 hexyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester. Phthalic acid, octyl 2-trifluoromethylbenzyl ester. Phthalic acid, dodecyl 2-trifluoromethylbenzyl ester. Phthalic acid, nonyl 2-trifluoromethylbenzyl ester. Phthalic acid, hexadecyl 2-trifluoromethylbenzyl ester. Phthalic acid, decyl 2-trifluorobenzyl ester. Phthalic acid, tridecyl 2-trifluoromethylbenzyl ester. Phthalic acid, pentadecyl 2-trifluoromethylbenzyl ester. Phthalic acid, octadecyl 2-trifluorobenzyl ester.

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

Sources

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