Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester

2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester

InChI
InChI=1S/C17H12F6O2/c1-9-3-5-12(7-10(9)2)25-15(24)13-8-11(16(18,19)20)4-6-14(13)17(21,22)23/h3-8H,1-2H3
InChI Key
KLIBLEPXWRPPHQ-UHFFFAOYSA-N
Formula
C17H12F6O2
SMILES
Cc1ccc(OC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1C
Molecular Weight1
362.27
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Physical Properties

Property Value Unit Source
ΔfusH° 34.33 kJ/mol Joback Calculated Property
logPoct/wat 5.560 Crippen Calculated Property
McVol 220.930 ml/mol McGowan Calculated Property
Inp [1790.00; 1790.00]   Show Hide
Inp 1790.00 NIST
Inp 1790.00 NIST
Tfus 364.39 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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 [616.33; 680.69] J/mol×K [709.22; 908.97] Show Hide
Cp,gas 616.33 J/mol×K 709.22 Joback Calculated Property
Cp,gas 629.40 J/mol×K 742.51 Joback Calculated Property
Cp,gas 641.45 J/mol×K 775.80 Joback Calculated Property
Cp,gas 652.55 J/mol×K 809.09 Joback Calculated Property
Cp,gas 662.75 J/mol×K 842.38 Joback Calculated Property
Cp,gas 672.11 J/mol×K 875.68 Joback Calculated Property
Cp,gas 680.69 J/mol×K 908.97 Joback Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,5-dimethylphenyl ester. 2-Trifluoromethylbenzoic acid, 3-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chloro-2-methylphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 2,5-Ditrifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester. 2-Trifluoromethylbenzoic acid, 2-methyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 3-Trifluoromethylbenzoic acid, 3-methylphenyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester.

Sources

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