Chemical Properties of 3-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester

3-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester

InChI
InChI=1S/C16H13F3O2/c1-10-6-11(2)8-14(7-10)21-15(20)12-4-3-5-13(9-12)16(17,18)19/h3-9H,1-2H3
InChI Key
YSWJEABWVZPVOU-UHFFFAOYSA-N
Formula
C16H13F3O2
SMILES
Cc1cc(C)cc(OC(=O)c2cccc(C(F)(F)F)c2)c1
Molecular Weight1
294.27
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Physical Properties

Property Value Unit Source
ΔfusH° 30.31 kJ/mol Joback Calculated Property
IE 8.69 eV Relay (1.0) Calculated Property
logPoct/wat 4.541 Crippen Calculated Property
McVol 201.530 ml/mol McGowan Calculated Property
Inp [1786.00; 1786.00]   Show Hide
Inp 1786.00 NIST
Inp 1786.00 NIST
Tboil 591.35 K Relay (1.0) Calculated Property
Tfus 341.13 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [277.51; 629.40] 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 A-1.73600e+01
Coefficient B1.29394e+00
Coefficient C-8.34280e-04
Coefficient D1.87100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 277.51 J/mol×K 273.00 Calculated Property
Cp,gas 344.27 J/mol×K 353.78 Calculated Property
Cp,gas 402.74 J/mol×K 434.56 Calculated Property
Cp,gas 453.50 J/mol×K 515.33 Calculated Property
Cp,gas 497.14 J/mol×K 596.11 Calculated Property
Cp,gas 534.27 J/mol×K 676.89 Calculated Property
Cp,gas 565.47 J/mol×K 757.67 Calculated Property
Cp,gas 591.33 J/mol×K 838.44 Calculated Property
Cp,gas 612.44 J/mol×K 919.22 Calculated Property
Cp,gas 629.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, 3-methylphenyl ester. 4-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. m-Toluic acid, 3,5-dimethylphenyl ester. 2-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,5-dimethylphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 3-Trifluoromethylbenzoic acid, 2-methylphenyl ester. m-Toluic acid, 3-methylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 4-Trifluoromethylbenzoic acid, 3-methylphenyl ester. p-Toluic acid, 3,5-dimethylphenyl ester. Isophthalic acid, di(3-methylphenyl) ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3-methylphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3-methylphenyl ester.

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester.

Sources

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