Chemical Properties of 2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester

2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester

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InChI
InChI=1S/C9H6F4O2/c1-15-8(14)5-3-2-4-6(7(5)10)9(11,12)13/h2-4H,1H3
InChI Key
XOUMAABXMXACFQ-UHFFFAOYSA-N
Formula
C9H6F4O2
SMILES
COC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
222.14
Sources

Physical Properties

Property Value Unit Source
Δf -892.27 kJ/mol Joback Calculated Property
Δfgas -1053.49 kJ/mol Joback Calculated Property
Δfus 20.02 kJ/mol Joback Calculated Property
Δvap 43.82 kJ/mol Joback Calculated Property
logPoct/wat 2.63 Crippen Calculated Property
Pc 2781.78 kPa Joback Calculated Property
Tboil 512.10 K Joback Calculated Property
Tc 701.72 K Joback Calculated Property
Tfus 319.59 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 292.78 J/mol×K 512.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 4
=CH- (ring) 3
=C< (ring) 3
>C< 1
-CH3 1
>C=O (nonring) 1

Similar Compounds

2-Fluoro-3-trifluoromethylbenzoic acid, isopropyl ester. 2-Fluoro-3-(trifluoromethyl)benzoic acid. 2-Fluoro-3-trifluoromethylbenzoic acid, neopentyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, heptadecyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-pentyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, heptadecyl ester. 4-Fluoro-3-(trifluomethyl)benzoic acid. 2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, heptadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, methyl ester. 2-Fluoro-3-(trifluoromethyl)benzaldehyde. 2-Fluoro-3-(trifluoromethyl)benzyl alcohol. 3-Fluoro-5-trifluoromethylbenzoic acid, isopropyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester.

Find more compounds similar to 2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester.

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