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

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

InChI
InChI=1S/C21H21F3O4/c1-2-3-4-5-10-27-20(25)14-6-8-15(9-7-14)21(26)28-13-16-11-17(22)12-18(23)19(16)24/h6-9,11-12H,2-5,10,13H2,1H3
InChI Key
WNJBWQXYJGUAIY-UHFFFAOYSA-N
Formula
C21H21F3O4
SMILES
CCCCCCOC(=O)c1ccc(C(=O)OCc2cc(F)cc(F)c2F)cc1
Molecular Weight1
394.38
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Physical Properties

Property Value Unit Source
ω 0.9905 Relay (1.0) Calculated Property
ΔfusH° 54.65 kJ/mol Joback Calculated Property
log10WS -6.85 Relay (1.0) Calculated Property
logPoct/wat 5.198 Crippen Calculated Property
McVol 279.420 ml/mol McGowan Calculated Property
Pc 1315.61 kPa Joback Calculated Property
Inp [2785.00; 2785.00]   Show Hide
Inp 2785.00 NIST
Inp 2785.00 NIST
Tboil 657.12 K Relay (1.0) Calculated Property
Tc 882.35 K Relay (1.0) Calculated Property
Tfus 304.65 K Relay (1.0) Calculated Property
Vc 1.040 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 [847.48; 907.42] J/mol×K [867.61; 1072.96] Show Hide
Cp,gas 847.48 J/mol×K 867.61 Joback Calculated Property
Cp,gas 860.46 J/mol×K 901.83 Joback Calculated Property
Cp,gas 872.21 J/mol×K 936.06 Joback Calculated Property
Cp,gas 882.75 J/mol×K 970.28 Joback Calculated Property
Cp,gas 892.12 J/mol×K 1004.51 Joback Calculated Property
Cp,gas 900.34 J/mol×K 1038.73 Joback Calculated Property
Cp,gas 907.42 J/mol×K 1072.96 Joback Calculated Property

Similar Compounds

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

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

Sources

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