Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxyphenyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxyphenyl ester

InChI
InChI=1S/C15H10F4O3/c1-21-10-3-5-11(6-4-10)22-14(20)9-2-7-12(13(16)8-9)15(17,18)19/h2-8H,1H3
InChI Key
WCLMIGFNWHGQER-UHFFFAOYSA-N
Formula
C15H10F4O3
SMILES
COc1ccc(OC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1
Molecular Weight1
314.23
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Physical Properties

Property Value Unit Source
ΔfH°gas -1148.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.98 kJ/mol Joback Calculated Property
ΔvapH° 82.84 kJ/mol Relay (1.0) Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -5.10 Relay (1.0) Calculated Property
logPoct/wat 4.072 Crippen Calculated Property
McVol 195.080 ml/mol McGowan Calculated Property
Inp 1895.00 NIST
Tboil 603.67 K Relay (1.0) Calculated Property
Tfus 336.00 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [520.37; 583.36] J/mol×K [685.59; 894.03] Show Hide
Cp,gas 520.37 J/mol×K 685.59 Joback Calculated Property
Cp,gas 533.25 J/mol×K 720.33 Joback Calculated Property
Cp,gas 545.14 J/mol×K 755.07 Joback Calculated Property
Cp,gas 556.06 J/mol×K 789.81 Joback Calculated Property
Cp,gas 566.05 J/mol×K 824.55 Joback Calculated Property
Cp,gas 575.14 J/mol×K 859.29 Joback Calculated Property
Cp,gas 583.36 J/mol×K 894.03 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, phenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-biphenyl ester. 3-Fluorobenzoic acid, 4-methoxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester. 3,4-Difluorobenzoic acid, 4-methoxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-methoxyphenyl ester.

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxyphenyl ester.

Sources

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