Chemical Properties of Terephthalic acid, octyl 2,3,5-trifluorobenzyl ester

Terephthalic acid, octyl 2,3,5-trifluorobenzyl ester

InChI
InChI=1S/C23H25F3O4/c1-2-3-4-5-6-7-12-29-22(27)16-8-10-17(11-9-16)23(28)30-15-18-13-19(24)14-20(25)21(18)26/h8-11,13-14H,2-7,12,15H2,1H3
InChI Key
HGCNIOCJYJDIEU-UHFFFAOYSA-N
Formula
C23H25F3O4
SMILES
CCCCCCCCOC(=O)c1ccc(C(=O)OCc2cc(F)cc(F)c2F)cc1
Molecular Weight1
422.44
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Physical Properties

Property Value Unit Source
ω 1.0721 Relay (1.0) Calculated Property
ΔfusH° 59.83 kJ/mol Joback Calculated Property
log10WS -7.47 Relay (1.0) Calculated Property
logPoct/wat 5.978 Crippen Calculated Property
McVol 307.600 ml/mol McGowan Calculated Property
Pc 1149.87 kPa Joback Calculated Property
Inp [2991.00; 2991.00]   Show Hide
Inp 2991.00 NIST
Inp 2991.00 NIST
Tboil 672.66 K Relay (1.0) Calculated Property
Tc 897.13 K Relay (1.0) Calculated Property
Tfus 307.16 K Relay (1.0) Calculated Property
Vc 1.149 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 [963.64; 1023.65] J/mol×K [913.37; 1122.04] Show Hide
Cp,gas 963.64 J/mol×K 913.37 Joback Calculated Property
Cp,gas 976.87 J/mol×K 948.15 Joback Calculated Property
Cp,gas 988.77 J/mol×K 982.93 Joback Calculated Property
Cp,gas 999.37 J/mol×K 1017.70 Joback Calculated Property
Cp,gas 1008.70 J/mol×K 1052.48 Joback Calculated Property
Cp,gas 1016.78 J/mol×K 1087.26 Joback Calculated Property
Cp,gas 1023.65 J/mol×K 1122.04 Joback Calculated Property

Similar Compounds

Terephthalic acid, nonyl 2,3,5-trifluorobenzyl ester. Terephthalic acid, decyl 2,3,5-trifluorobenzyl ester. Terephthalic acid, heptyl 2,3,5-trifluorobenzyl ester. Terephthalic acid, hexyl 2,3,5-trifluorobenzyl ester. Terephthalic acid, pentyl 2,3,5-trifluorobenzyl ester. Terephthalic acid, butyl 2,3,5-trifluorobenzyl ester. Terephthalic acid, 3-fluorobenzyl octyl ester. Terephthalic acid, octyl 3,4,5-trifluorobenzyl ester. Terephthalic acid, 2-fluorobenzyl octyl ester. Terephthalic acid, 2-fluorobenzyl nonyl ester. Terephthalic acid, heptyl 3-fluorobenzyl ester. Terephthalic acid, heptyl 3,4,5-trifluorobenzyl ester. Terephthalic acid, 2-fluorobenzyl heptyl ester. Terephthalic acid, 2-fluorobenzyl hexyl ester. Terephthalic acid, hexyl 3-fluorobenzyl ester.

Find more compounds similar to Terephthalic acid, octyl 2,3,5-trifluorobenzyl ester.

Sources

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