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

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

InChI
InChI=1S/C20H12F4O2/c21-18-12-15(8-11-17(18)20(22,23)24)19(25)26-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H
InChI Key
AFZSPWLCQLHGQO-UHFFFAOYSA-N
Formula
C20H12F4O2
SMILES
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
360.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -902.74 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.79 kJ/mol Joback Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -6.43 Relay (1.0) Calculated Property
logPoct/wat 5.731 Crippen Calculated Property
McVol 235.900 ml/mol McGowan Calculated Property
Inp 2429.00 NIST
Tboil 677.36 K Relay (1.0) Calculated Property
Tfus 370.47 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 [670.57; 731.11] J/mol×K [804.25; 1034.85] Show Hide
Cp,gas 670.57 J/mol×K 804.25 Joback Calculated Property
Cp,gas 683.51 J/mol×K 842.68 Joback Calculated Property
Cp,gas 695.19 J/mol×K 881.12 Joback Calculated Property
Cp,gas 705.70 J/mol×K 919.55 Joback Calculated Property
Cp,gas 715.13 J/mol×K 957.98 Joback Calculated Property
Cp,gas 723.57 J/mol×K 996.42 Joback Calculated Property
Cp,gas 731.11 J/mol×K 1034.85 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2-biphenyl ester. 3-Fluorobenzoic acid, 4-biphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, phenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-chlorophenyl ester. BENZOIC ACID, 2-FLUORO-, 4-BIPHENYLYL ESTER. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 4-Fluorobenzoic acid, 4-biphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylphenyl ester. 2,4-Difluorobenzoic acid, 4-biphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,5-difluophenyl ester.

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

Sources

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