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

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

InChI
InChI=1S/C10H7ClF4O2/c11-3-4-17-9(16)6-1-2-7(8(12)5-6)10(13,14)15/h1-2,5H,3-4H2
InChI Key
PPQCZTZJWICKQD-UHFFFAOYSA-N
Formula
C10H7ClF4O2
SMILES
O=C(OCCCl)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
270.61
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Physical Properties

Property Value Unit Source
Δfus 28.39 kJ/mol Joback Calculated Property
logPoct/wat 3.240 Crippen Calculated Property
McVol 154.760 ml/mol McGowan Calculated Property
Inp [1408.00; 1408.00]   Show Hide
Inp 1408.00 NIST
Inp 1408.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [358.78; 414.17] J/mol×K [554.54; 744.10] Show Hide
Cp,gas 358.78 J/mol×K 554.54 Joback Calculated Property
Cp,gas 369.69 J/mol×K 586.13 Joback Calculated Property
Cp,gas 379.89 J/mol×K 617.73 Joback Calculated Property
Cp,gas 389.42 J/mol×K 649.32 Joback Calculated Property
Cp,gas 398.29 J/mol×K 680.91 Joback Calculated Property
Cp,gas 406.53 J/mol×K 712.51 Joback Calculated Property
Cp,gas 414.17 J/mol×K 744.10 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,2-trichloroethyl 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-Fluoro-4-trifluoromethylbenzoic acid, methyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, neopentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 8-chlorooctyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester. 4-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-pentyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester.

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

Sources

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