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

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

InChI
InChI=1S/C22H23F3O4/c1-2-3-4-5-6-11-28-21(26)15-7-9-16(10-8-15)22(27)29-14-17-12-18(23)13-19(24)20(17)25/h7-10,12-13H,2-6,11,14H2,1H3
InChI Key
HKWMGXVLDNHHFN-UHFFFAOYSA-N
Formula
C22H23F3O4
SMILES
CCCCCCCOC(=O)c1ccc(C(=O)OCc2cc(F)cc(F)c2F)cc1
Molecular Weight1
408.41
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Physical Properties

Property Value Unit Source
ω 1.0316 Relay (1.0) Calculated Property
ΔfusH° 57.24 kJ/mol Joback Calculated Property
log10WS -7.17 Relay (1.0) Calculated Property
logPoct/wat 5.588 Crippen Calculated Property
McVol 293.510 ml/mol McGowan Calculated Property
Pc 1228.56 kPa Joback Calculated Property
Inp [2892.00; 2892.00]   Show Hide
Inp 2892.00 NIST
Inp 2892.00 NIST
Tboil 665.16 K Relay (1.0) Calculated Property
Tc 889.88 K Relay (1.0) Calculated Property
Tfus 305.99 K Relay (1.0) Calculated Property
Vc 1.094 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 [905.25; 965.29] J/mol×K [890.49; 1097.10] Show Hide
Cp,gas 905.25 J/mol×K 890.49 Joback Calculated Property
Cp,gas 918.35 J/mol×K 924.92 Joback Calculated Property
Cp,gas 930.18 J/mol×K 959.36 Joback Calculated Property
Cp,gas 940.77 J/mol×K 993.79 Joback Calculated Property
Cp,gas 950.13 J/mol×K 1028.23 Joback Calculated Property
Cp,gas 958.30 J/mol×K 1062.66 Joback Calculated Property
Cp,gas 965.29 J/mol×K 1097.10 Joback Calculated Property

Similar Compounds

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

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

Sources

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