Chemical Properties of 2,3,4-Trifluorobenzoic acid, 3-methylbut-2-enyl ester

2,3,4-Trifluorobenzoic acid, 3-methylbut-2-enyl ester

InChI
InChI=1S/C12H11F3O2/c1-7(2)5-6-17-12(16)8-3-4-9(13)11(15)10(8)14/h3-5H,6H2,1-2H3
InChI Key
DIFDSKYIZZPOQX-UHFFFAOYSA-N
Formula
C12H11F3O2
SMILES
CC(C)=CCOC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
244.21
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Physical Properties

Property Value Unit Source
Δfus 30.63 kJ/mol Joback Calculated Property
logPoct/wat 3.227 Crippen Calculated Property
McVol 164.630 ml/mol McGowan Calculated Property
Inp [1462.10; 1462.10]   Show Hide
Inp 1462.10 NIST
Inp 1462.10 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [397.11; 460.92] J/mol×K [593.72; 786.64] Show Hide
Cp,gas 397.11 J/mol×K 593.72 Joback Calculated Property
Cp,gas 409.27 J/mol×K 625.87 Joback Calculated Property
Cp,gas 420.80 J/mol×K 658.03 Joback Calculated Property
Cp,gas 431.71 J/mol×K 690.18 Joback Calculated Property
Cp,gas 442.02 J/mol×K 722.33 Joback Calculated Property
Cp,gas 451.75 J/mol×K 754.49 Joback Calculated Property
Cp,gas 460.92 J/mol×K 786.64 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester. 3-fluorobenzoic acid, 3-methylbut-2-enyl ester. 2,3,4-trifluorobenzoic acid, 3-chloroprop-2-enyl ester. 2,3,4-Trifluorobenzoic acid, undec-2-enyl ester. 2,3,4-Trifluorobenzoic acid, ethyl ester. 2,6-Difluorobenzoic acid, 3-methylbut-2-enyl ester. 4-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester. 2-Fluorobenzoic acid, undec-2-enyl ester. 2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester. 3-Methylbut-2-en-1-yl 2,3,4,5,6-pentafluorobenzoate. 2,4-Difluorobenzoic acid, propyl ester. 3-Fluorobenzoic acid, undec-2-enyl ester. 2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester.

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 3-methylbut-2-enyl ester.

Sources

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