Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester

3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester

InChI
InChI=1S/C13H14F4O2/c1-7(2)8(3)19-12(18)9-4-5-10(11(14)6-9)13(15,16)17/h4-8H,1-3H3
InChI Key
FXMKAFZZJLTQQW-UHFFFAOYSA-N
Formula
C13H14F4O2
SMILES
CC(C)C(C)OC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
278.24
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Physical Properties

Property Value Unit Source
Δfus 24.92 kJ/mol Joback Calculated Property
logPoct/wat 4.046 Crippen Calculated Property
McVol 184.790 ml/mol McGowan Calculated Property
Inp 1347.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [474.03; 547.86] J/mol×K [584.87; 770.71] Show Hide
Cp,gas 474.03 J/mol×K 584.87 Joback Calculated Property
Cp,gas 488.37 J/mol×K 615.84 Joback Calculated Property
Cp,gas 501.86 J/mol×K 646.82 Joback Calculated Property
Cp,gas 514.52 J/mol×K 677.79 Joback Calculated Property
Cp,gas 526.39 J/mol×K 708.76 Joback Calculated Property
Cp,gas 537.50 J/mol×K 739.74 Joback Calculated Property
Cp,gas 547.86 J/mol×K 770.71 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2-pentyl ester. 3-Fluorobenzoic acid, 3-methylbut-2-yl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-yl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl-2 ester. 4-Fluorobenzoic acid, 3-methylbut-2-yl ester. 3-Trifluoromethylbenzoic acid, 3-methylbut-2-yl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, isopropyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, neopentyl ester.

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester.

Sources

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