Chemical Properties of 2-Trifluoromethylbenzoic acid, 3-methylbut-2-yl ester

2-Trifluoromethylbenzoic acid, 3-methylbut-2-yl ester

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InChI
InChI=1S/C13H15F3O2/c1-8(2)9(3)18-12(17)10-6-4-5-7-11(10)13(14,15)16/h4-9H,1-3H3
InChI Key
JXAHNSGMKGFEHU-UHFFFAOYSA-N
Formula
C13H15F3O2
SMILES
CC(C)C(C)OC(=O)c1ccccc1C(F)(F)F
Molecular Weight1
260.25
Sources

Physical Properties

Property Value Unit Source
Δf -659.03 kJ/mol Joback Calculated Property
Δfgas -939.03 kJ/mol Joback Calculated Property
Δfus 20.64 kJ/mol Joback Calculated Property
Δvap 52.10 kJ/mol Joback Calculated Property
logPoct/wat 3.91 Crippen Calculated Property
Pc 2058.62 kPa Joback Calculated Property
Tboil 598.49 K Joback Calculated Property
Tc 794.06 K Joback Calculated Property
Tfus 321.56 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 471.39 J/mol×K 598.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Trifluoromethylbenzoic acid, 3-methylbutyl ester. 2-Trifluoromethylbenzoic acid, 2-methylpentyl ester. 2-Trifluoromethylbenzoic acid, ethyl ester. 2-Trifluoromethylbenzoic acid, 8-chlorooctyl ester. 2-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester. 2-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester. 2-Trifluoromethylbenzoic acid, tridec-2-ynyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-pentyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 2-pentyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, neopentyl ester. 2-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 2,5-Di(trifluoromethyl)benzoic acid, isopropyl ester. Phthalic acid, isobutyl 2-trifluorobenzyl ester. 2,5-Di(trifluoromethyl)benzoic acid, cyclohexyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, isopropyl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 3-methylbut-2-yl ester.

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