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

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

InChI
InChI=1S/C16H20F4O2/c1-3-5-6-11(4-2)10-22-15(21)12-7-8-13(14(17)9-12)16(18,19)20/h7-9,11H,3-6,10H2,1-2H3
InChI Key
QTFOYNIOELTJSW-UHFFFAOYSA-N
Formula
C16H20F4O2
SMILES
CCCCC(CC)COC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
320.32
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Physical Properties

Property Value Unit Source
ΔfusH° 36.21 kJ/mol Joback Calculated Property
log10WS -6.00 Relay (1.0) Calculated Property
logPoct/wat 5.218 Crippen Calculated Property
McVol 227.060 ml/mol McGowan Calculated Property
Pc 1478.15 kPa Joback Calculated Property
Inp 1659.00 NIST
Tboil 564.57 K Relay (1.0) Calculated Property
Tfus 248.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [340.10; 758.58] 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 A6.65500e+00
Coefficient B1.45004e+00
Coefficient C-8.89720e-04
Coefficient D1.91600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 340.10 J/mol×K 273.00 Calculated Property
Cp,gas 416.77 J/mol×K 353.78 Calculated Property
Cp,gas 484.49 J/mol×K 434.56 Calculated Property
Cp,gas 543.85 J/mol×K 515.33 Calculated Property
Cp,gas 595.47 J/mol×K 596.11 Calculated Property
Cp,gas 639.94 J/mol×K 676.89 Calculated Property
Cp,gas 677.89 J/mol×K 757.67 Calculated Property
Cp,gas 709.90 J/mol×K 838.44 Calculated Property
Cp,gas 736.60 J/mol×K 919.22 Calculated Property
Cp,gas 758.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylpentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester. 3,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 3-Fluorobenzoic acid, 2-methylpentyl ester. 3,4-Difluorobenzoic acid, cyclohexylmethyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 2,5-Difluorobenzoic acid, 2-ethylhexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, 2-ethylhexyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, cyclohexylmethyl ester.

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

Sources

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