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

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

InChI
InChI=1S/C22H22F4O4/c1-2-3-4-5-13-29-20(27)15-9-11-16(12-10-15)21(28)30-14-17-18(22(24,25)26)7-6-8-19(17)23/h6-12H,2-5,13-14H2,1H3
InChI Key
SQSDPDIROVSCDN-UHFFFAOYSA-N
Formula
C22H22F4O4
SMILES
CCCCCCOC(=O)c1ccc(C(=O)OCc2c(F)cccc2C(F)(F)F)cc1
Molecular Weight1
426.41
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Physical Properties

Property Value Unit Source
ω 0.9890 Relay (1.0) Calculated Property
ΔfusH° 53.29 kJ/mol Joback Calculated Property
log10WS -6.85 Relay (1.0) Calculated Property
logPoct/wat 5.939 Crippen Calculated Property
McVol 295.280 ml/mol McGowan Calculated Property
Pc 1219.14 kPa Joback Calculated Property
Inp [3004.00; 3004.00]   Show Hide
Inp 3004.00 NIST
Inp 3004.00 NIST
Tboil 673.95 K Relay (1.0) Calculated Property
Tc 883.80 K Relay (1.0) Calculated Property
Tfus 327.95 K Relay (1.0) Calculated Property
Vc 1.086 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [914.50; 974.97] J/mol×K [881.55; 1087.53] Show Hide
Cp,gas 914.50 J/mol×K 881.55 Joback Calculated Property
Cp,gas 927.44 J/mol×K 915.88 Joback Calculated Property
Cp,gas 939.17 J/mol×K 950.21 Joback Calculated Property
Cp,gas 949.73 J/mol×K 984.54 Joback Calculated Property
Cp,gas 959.19 J/mol×K 1018.87 Joback Calculated Property
Cp,gas 967.59 J/mol×K 1053.20 Joback Calculated Property
Cp,gas 974.97 J/mol×K 1087.53 Joback Calculated Property

Similar Compounds

Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl octyl ester. 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 pentyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester. Phthalic acid, dodecyl 2-trifluoromethylbenzyl ester. Phthalic acid, octadecyl 2-trifluorobenzyl ester. Phthalic acid, octyl 2-trifluoromethylbenzyl ester. Phthalic acid, undecyl 2-trifluoromethylbenzyl ester. Phthalic acid, tetradecyl 2-trifluoromethylbenzyl ester. Phthalic acid, heptadecyl 2-trifluoromethylbenzyl ester. Phthalic acid, tridecyl 2-trifluoromethylbenzyl ester. Phthalic acid, hexadecyl 2-trifluoromethylbenzyl ester.

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

Sources

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