Chemical Properties of 2-Fluoro-3-(trifluoromethyl)benzoic acid (CAS 115029-22-6)

2-Fluoro-3-(trifluoromethyl)benzoic acid

InChI
InChI=1S/C8H4F4O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key
XVEAMDNSCPPPCP-UHFFFAOYSA-N
Formula
C8H4F4O2
SMILES
O=C(O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
208.11
CAS
115029-22-6
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Physical Properties

Property Value Unit Source
ΔfusH° 24.79 kJ/mol Joback Calculated Property
ΔvapH° 74.12 kJ/mol Relay (1.0) Calculated Property
log10WS -2.53 Relay (1.0) Calculated Property
logPoct/wat 2.543 Crippen Calculated Property
McVol 114.340 ml/mol McGowan Calculated Property
Tboil 497.47 K Relay (1.0) Calculated Property
Tfus 378.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [274.66; 317.50] J/mol×K [558.64; 759.34] Show Hide
Cp,gas 274.66 J/mol×K 558.64 Joback Calculated Property
Cp,gas 283.32 J/mol×K 592.09 Joback Calculated Property
Cp,gas 291.31 J/mol×K 625.54 Joback Calculated Property
Cp,gas 298.69 J/mol×K 658.99 Joback Calculated Property
Cp,gas 305.48 J/mol×K 692.44 Joback Calculated Property
Cp,gas 311.74 J/mol×K 725.89 Joback Calculated Property
Cp,gas 317.50 J/mol×K 759.34 Joback Calculated Property

Similar Compounds

2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester. 4-Fluoro-3-(trifluomethyl)benzoic acid. 2-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester. 2-Fluoro-4-(trifluoromethyl)benzoic acid. 2-Fluoro-3-trifluoromethylbenzoic acid, isopropyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, neopentyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 2-Fluoro-6-(trifluoromethyl)benzoic acid. 2-Fluoro-3-trifluoromethylbenzoic acid, propyl ester. 2-Fluoro-3-(trifluoromethyl)benzyl alcohol. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-nitrophenyl ester.

Find more compounds similar to 2-Fluoro-3-(trifluoromethyl)benzoic acid.

Sources

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