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

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

InChI
InChI=1S/C26H30F4O4/c1-2-3-4-5-6-7-8-9-17-33-24(31)19-13-15-20(16-14-19)25(32)34-18-21-22(26(28,29)30)11-10-12-23(21)27/h10-16H,2-9,17-18H2,1H3
InChI Key
ZOWGNBIAEBSDOG-UHFFFAOYSA-N
Formula
C26H30F4O4
SMILES
CCCCCCCCCCOC(=O)c1ccc(C(=O)OCc2c(F)cccc2C(F)(F)F)cc1
Molecular Weight1
482.51
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Physical Properties

Property Value Unit Source
ω 1.1515 Relay (1.0) Calculated Property
ΔfusH° 63.65 kJ/mol Joback Calculated Property
log10WS -8.06 Relay (1.0) Calculated Property
logPoct/wat 7.499 Crippen Calculated Property
McVol 351.640 ml/mol McGowan Calculated Property
Pc 947.91 kPa Joback Calculated Property
Inp [3408.00; 3408.00]   Show Hide
Inp 3408.00 NIST
Inp 3408.00 NIST
Tboil 704.05 K Relay (1.0) Calculated Property
Tc 915.13 K Relay (1.0) Calculated Property
Tfus 331.62 K Relay (1.0) Calculated Property
Vc 1.303 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 [514.19; 1160.49] 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 A5.05000e+00
Coefficient B2.20092e+00
Coefficient C-1.30008e-03
Coefficient D2.54600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 514.19 J/mol×K 273.00 Calculated Property
Cp,gas 632.24 J/mol×K 353.78 Calculated Property
Cp,gas 736.86 J/mol×K 434.56 Calculated Property
Cp,gas 828.84 J/mol×K 515.33 Calculated Property
Cp,gas 908.99 J/mol×K 596.11 Calculated Property
Cp,gas 978.12 J/mol×K 676.89 Calculated Property
Cp,gas 1037.03 J/mol×K 757.67 Calculated Property
Cp,gas 1086.52 J/mol×K 838.44 Calculated Property
Cp,gas 1127.41 J/mol×K 919.22 Calculated Property
Cp,gas 1160.49 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, 2-fluoro-6-(trifluoromethyl)benzyl octyl 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, decyl 2-fluoro-6-(trifluoromethyl)benzyl ester.

Sources

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