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

2-Fluoro-3-trifluoromethylbenzoic acid, 2-pentyl ester

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InChI
InChI=1S/C13H14F4O2/c1-3-5-8(2)19-12(18)9-6-4-7-10(11(9)14)13(15,16)17/h4,6-8H,3,5H2,1-2H3
InChI Key
GEWSRDMZZYMOGT-UHFFFAOYSA-N
Formula
C13H14F4O2
SMILES
CCCC(C)OC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
278.24
Sources

Physical Properties

Property Value Unit Source
Δf -861.03 kJ/mol Joback Calculated Property
Δfgas -1141.33 kJ/mol Joback Calculated Property
Δfus 26.86 kJ/mol Joback Calculated Property
Δvap 52.34 kJ/mol Joback Calculated Property
logPoct/wat 4.19 Crippen Calculated Property
Pc 1937.24 kPa Joback Calculated Property
Tboil 603.18 K Joback Calculated Property
Tc 788.04 K Joback Calculated Property
Tfus 349.67 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 478.78 J/mol×K 603.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 2
-F 4
>C< 1
>C=O (nonring) 1

Similar Compounds

2-Fluoro-3-trifluoromethylbenzoic acid, heptadecyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, isopropyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, neopentyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, heptadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-pentyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-pentyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, heptadecyl ester. 2-Fluoro-3-(trifluoromethyl)benzoic acid. 2,6-Difluoro-3-methylbenzoic acid, cyclohexyl ester. 2-Fluoro-6-trifluoromethylbenzoic acid, 2-pentyl ester. 2,6-Difluoro-3-methylbenzoic acid, eicosyl ester. 2,6-Difluoro-3-methylbenzoic acid, 6-chlorohexyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-methylbutyl ester.

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