Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester

InChI
InChI=1S/C10H5Cl3F4O2/c11-9(12,13)4-19-8(18)5-1-2-6(7(14)3-5)10(15,16)17/h1-3H,4H2
InChI Key
QEDVZDHKDKWUNB-UHFFFAOYSA-N
Formula
C10H5Cl3F4O2
SMILES
O=C(OCC(Cl)(Cl)Cl)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
339.50
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Physical Properties

Property Value Unit Source
Δfus 29.37 kJ/mol Joback Calculated Property
logPoct/wat 4.372 Crippen Calculated Property
McVol 179.240 ml/mol McGowan Calculated Property
Inp 1527.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [409.81; 454.81] J/mol×K [626.17; 835.03] Show Hide
Cp,gas 409.81 J/mol×K 626.17 Joback Calculated Property
Cp,gas 419.29 J/mol×K 660.98 Joback Calculated Property
Cp,gas 427.91 J/mol×K 695.79 Joback Calculated Property
Cp,gas 435.71 J/mol×K 730.60 Joback Calculated Property
Cp,gas 442.76 J/mol×K 765.41 Joback Calculated Property
Cp,gas 449.11 J/mol×K 800.22 Joback Calculated Property
Cp,gas 454.81 J/mol×K 835.03 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2-chloroethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, methyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, neopentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methoxyethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, isopropyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethoxyethyl ester. 3-Fluorobenzoic acid, 2,2,2-trichloroethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester. 2-Fluorobenzoic acid, 2,2,2-trichloroethyl ester. 2,4-Difluorobenzoic acid, 2,2,2-trichloroethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 8-chlorooctyl ester.

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester.

Sources

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