Chemical Properties of 2-Trifluoromethylbenzoic acid, 2-methyl ester

2-Trifluoromethylbenzoic acid, 2-methyl ester

InChI
InChI=1S/C15H11F3O2/c1-10-6-2-5-9-13(10)20-14(19)11-7-3-4-8-12(11)15(16,17)18/h2-9H,1H3
InChI Key
LBWANXZXSXOKPI-UHFFFAOYSA-N
Formula
C15H11F3O2
SMILES
Cc1ccccc1OC(=O)c1ccccc1C(F)(F)F
Molecular Weight1
280.24
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Physical Properties

Property Value Unit Source
ΔfusH° 28.11 kJ/mol Joback Calculated Property
IE 8.72 eV Relay (1.0) Calculated Property
log10WS -4.26 Relay (1.0) Calculated Property
logPoct/wat 4.233 Crippen Calculated Property
McVol 187.440 ml/mol McGowan Calculated Property
Inp 1767.00 NIST
Tboil 575.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 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 [253.75; 580.85] 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-3.07500e+01
Coefficient B1.25842e+00
Coefficient C-8.46920e-04
Coefficient D2.00100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 253.75 J/mol×K 273.00 Calculated Property
Cp,gas 317.31 J/mol×K 353.78 Calculated Property
Cp,gas 372.59 J/mol×K 434.56 Calculated Property
Cp,gas 420.23 J/mol×K 515.33 Calculated Property
Cp,gas 460.84 J/mol×K 596.11 Calculated Property
Cp,gas 495.08 J/mol×K 676.89 Calculated Property
Cp,gas 523.56 J/mol×K 757.67 Calculated Property
Cp,gas 546.93 J/mol×K 838.44 Calculated Property
Cp,gas 565.82 J/mol×K 919.22 Calculated Property
Cp,gas 580.85 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Trifluoromethylbenzoic acid, 3-methylphenyl ester. 3-Trifluoromethylbenzoic acid, 2-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester. 2-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chloro-2-methylphenyl ester. 2-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. Phthalic acid, di(2,3-dimethylphenyl) ester. Dichlorophen, O,O'-(2-trifluoromethylbenzoyl)-. 2-Trifluoromethylbenzoic acid, phenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,5-dimethylphenyl ester. Isophthalic acid, di(2-methylphenyl) ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester. 2-Trifluoromethylbenzoic acid, 2-naphthyl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2-methyl ester.

Sources

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