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

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

InChI
InChI=1S/C13H15F3O2/c1-8(2)9(3)18-12(17)10-5-4-6-11(7-10)13(14,15)16/h4-9H,1-3H3
InChI Key
FTQWVKYCCYWCIQ-UHFFFAOYSA-N
Formula
C13H15F3O2
SMILES
CC(C)C(C)OC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
260.25
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Physical Properties

Property Value Unit Source
ΔfusH° 20.65 kJ/mol Joback Calculated Property
IE 9.73 eV Relay (1.0) Calculated Property
logPoct/wat 3.907 Crippen Calculated Property
McVol 183.020 ml/mol McGowan Calculated Property
Inp 1338.00 NIST
Tboil 512.72 K Relay (1.0) Calculated Property
Tfus 307.46 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [471.39; 547.73] J/mol×K [598.49; 794.06] Show Hide
Cp,gas 471.39 J/mol×K 598.49 Joback Calculated Property
Cp,gas 486.27 J/mol×K 631.09 Joback Calculated Property
Cp,gas 500.24 J/mol×K 663.68 Joback Calculated Property
Cp,gas 513.33 J/mol×K 696.28 Joback Calculated Property
Cp,gas 525.59 J/mol×K 728.87 Joback Calculated Property
Cp,gas 537.05 J/mol×K 761.47 Joback Calculated Property
Cp,gas 547.73 J/mol×K 794.06 Joback Calculated Property

Similar Compounds

Isophthalic acid, di(3-methylbut-2-yl) ester. 2-Trifluoromethylbenzoic acid, 3-methylbut-2-yl ester. Isophthalic acid, isobutyl 3-methylbut-2-yl ester. Isophthalic acid, ethyl 3-methylbut-2-yl ester. Isophthalic acid, 3-methylbut-2-yl propyl ester. Benzoic acid, 3-methyl-, 3-methylbut-2-yl ester. Benzoic acid, 3-methylbut-2-yl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester. Bis(3-methylbutan-2-yl) phthalate. Terephthalic acid, di(3-methylbut-2-yl) ester. Terephthalic acid, isobutyl 3-methylbut-2-yl ester. 3-Trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Fluorobenzoic acid, 3-methylbut-2-yl ester. Isophthalic acid, di(1-isopropyl-2-methylpropyl) ester. 3-Fluorobenzoic acid, 3-methylbut-2-yl ester.

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

Sources

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