Chemical Properties of 3-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester

3-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester

InChI
InChI=1S/C10H6Cl3F3O2/c11-9(12,13)5-18-8(17)6-2-1-3-7(4-6)10(14,15)16/h1-4H,5H2
InChI Key
JCHPKZAJAAOACB-UHFFFAOYSA-N
Formula
C10H6Cl3F3O2
SMILES
O=C(OCC(Cl)(Cl)Cl)c1cccc(C(F)(F)F)c1
Molecular Weight1
321.51
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Physical Properties

Property Value Unit Source
ΔfusH° 26.68 kJ/mol Joback Calculated Property
IE 10.22 eV Relay (1.0) Calculated Property
logPoct/wat 4.232 Crippen Calculated Property
McVol 177.470 ml/mol McGowan Calculated Property
Inp [1539.00; 1539.00]   Show Hide
Inp 1539.00 NIST
Inp 1539.00 NIST
Tboil 538.90 K Relay (1.0) Calculated Property
Tfus 379.54 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [402.93; 450.91] J/mol×K [621.92; 839.65] Show Hide
Cp,gas 402.93 J/mol×K 621.92 Joback Calculated Property
Cp,gas 413.14 J/mol×K 658.21 Joback Calculated Property
Cp,gas 422.38 J/mol×K 694.50 Joback Calculated Property
Cp,gas 430.71 J/mol×K 730.79 Joback Calculated Property
Cp,gas 438.19 J/mol×K 767.08 Joback Calculated Property
Cp,gas 444.90 J/mol×K 803.37 Joback Calculated Property
Cp,gas 450.91 J/mol×K 839.65 Joback Calculated Property

Similar Compounds

Ethyl-3-trifluoromethyl benzoate. Methyl 3-trifluoromethylbenzoate. 2-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester. 3-Trifluoromethylbenzoic acid, 3-chloroprop-2-enyl ester. 3-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester. 3-Trifluoromethylbenzoic acid, pent-2-en-4-ynyl ester. 3-Trifluoromethylbenzoic acid, but-3-yn-2-yl ester. Benzoic acid, 3-methyl-, 2,2,2-trichloroethyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester. Ethanol, 2,2,2-trichloro-, benzoate. 2,5-Di(trifluoromethyl)benzoic acid, 2-chloroethyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, ethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester. Isophthalic acid, di(2-chloroethyl) ester.

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester.

Sources

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