Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester

2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester

InChI
InChI=1S/C16H10F6O2/c1-9-3-2-4-11(7-9)24-14(23)12-8-10(15(17,18)19)5-6-13(12)16(20,21)22/h2-8H,1H3
InChI Key
KMOKEJLRHGESTA-UHFFFAOYSA-N
Formula
C16H10F6O2
SMILES
Cc1cccc(OC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1
Molecular Weight1
348.24
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Physical Properties

Property Value Unit Source
ΔfusH° 32.13 kJ/mol Joback Calculated Property
IE 8.79 eV Relay (1.0) Calculated Property
log10WS -6.01 Relay (1.0) Calculated Property
logPoct/wat 5.252 Crippen Calculated Property
McVol 206.840 ml/mol McGowan Calculated Property
Inp 1635.00 NIST
Tboil 580.25 K Relay (1.0) Calculated Property
Tfus 352.61 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 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 [300.65; 652.08] 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-2.35600e+01
Coefficient B1.45512e+00
Coefficient C-1.05528e-03
Coefficient D2.75800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 300.65 J/mol×K 273.00 Calculated Property
Cp,gas 371.36 J/mol×K 353.78 Calculated Property
Cp,gas 432.13 J/mol×K 434.56 Calculated Property
Cp,gas 483.81 J/mol×K 515.33 Calculated Property
Cp,gas 527.28 J/mol×K 596.11 Calculated Property
Cp,gas 563.42 J/mol×K 676.89 Calculated Property
Cp,gas 593.10 J/mol×K 757.67 Calculated Property
Cp,gas 617.19 J/mol×K 838.44 Calculated Property
Cp,gas 636.56 J/mol×K 919.22 Calculated Property
Cp,gas 652.08 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,5-dimethylphenyl ester. 2-Trifluoromethylbenzoic acid, 3-methylphenyl ester. 2-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chloro-2-methylphenyl ester. 2,5-Ditrifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2-Trifluoromethylbenzoic acid, 2-methyl ester. 3-Trifluoromethylbenzoic acid, 3-methylphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2,3-dichlorophenyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester.

Sources

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