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

2,5-Di(trifluoromethyl)benzoic acid, isopropyl ester

InChI
InChI=1S/C12H10F6O2/c1-6(2)20-10(19)8-5-7(11(13,14)15)3-4-9(8)12(16,17)18/h3-6H,1-2H3
InChI Key
JBBBTQHHAVTTGH-UHFFFAOYSA-N
Formula
C12H10F6O2
SMILES
CC(C)OC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
300.20
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Physical Properties

Property Value Unit Source
Δfus 23.02 kJ/mol Joback Calculated Property
logPoct/wat 4.289 Crippen Calculated Property
McVol 174.240 ml/mol McGowan Calculated Property
Inp [1153.00; 1153.00]   Show Hide
Inp 1153.00 NIST
Inp 1153.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [449.59; 514.05] J/mol×K [575.61; 756.09] Show Hide
Cp,gas 449.59 J/mol×K 575.61 Joback Calculated Property
Cp,gas 462.21 J/mol×K 605.69 Joback Calculated Property
Cp,gas 474.03 J/mol×K 635.77 Joback Calculated Property
Cp,gas 485.09 J/mol×K 665.85 Joback Calculated Property
Cp,gas 495.42 J/mol×K 695.93 Joback Calculated Property
Cp,gas 505.06 J/mol×K 726.01 Joback Calculated Property
Cp,gas 514.05 J/mol×K 756.09 Joback Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, propyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isobutyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-chloroethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-methoxyethyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, isopropyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-ethoxyethyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, isopropyl ester. 2,5-Di(trifluoromethyl)benzoic acid, butyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-pentyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-(dimethylamino)ethyl ester. 2-Trifluoromethylbenzoic acid, ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentyl ester. 2-Trifluoromethylbenzoic acid, 3-methylbut-2-yl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-tridecyl ester.

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

Sources

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