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
ΔfusH° 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; 1347.00]   Show Hide
Inp 1347.00 NIST
Inp 1347.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [276.15; 604.34] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A7.70000e+00
Coefficient B1.17096e+00
Coefficient C-7.29720e-04
Coefficient D1.55400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 276.15 J/mol×K 273.00 Calculated Property
Cp,gas 337.51 J/mol×K 353.78 Calculated Property
Cp,gas 391.50 J/mol×K 434.56 Calculated Property
Cp,gas 438.61 J/mol×K 515.33 Calculated Property
Cp,gas 479.34 J/mol×K 596.11 Calculated Property
Cp,gas 514.16 J/mol×K 676.89 Calculated Property
Cp,gas 543.59 J/mol×K 757.67 Calculated Property
Cp,gas 568.10 J/mol×K 838.44 Calculated Property
Cp,gas 588.18 J/mol×K 919.22 Calculated Property
Cp,gas 604.34 J/mol×K 1000.00 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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