Chemical Properties of 2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester

2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester

InChI
InChI=1S/C12H7F3O2/c1-2-3-4-7-17-12(16)8-5-6-9(13)11(15)10(8)14/h1,3-6H,7H2/b4-3+
InChI Key
NNNUEGOUIVSAFU-ONEGZZNKSA-N
Formula
C12H7F3O2
SMILES
C#CC=CCOC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
240.18
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Physical Properties

Property Value Unit Source
Δfus 34.91 kJ/mol Joback Calculated Property
logPoct/wat 2.450 Crippen Calculated Property
McVol 156.030 ml/mol McGowan Calculated Property
Inp [1505.30; 1505.30]   Show Hide
Inp 1505.30 NIST
Inp 1505.30 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [357.44; 412.40] J/mol×K [583.96; 785.79] Show Hide
Cp,gas 357.44 J/mol×K 583.96 Joback Calculated Property
Cp,gas 368.05 J/mol×K 617.60 Joback Calculated Property
Cp,gas 378.06 J/mol×K 651.24 Joback Calculated Property
Cp,gas 387.47 J/mol×K 684.88 Joback Calculated Property
Cp,gas 396.31 J/mol×K 718.51 Joback Calculated Property
Cp,gas 404.61 J/mol×K 752.15 Joback Calculated Property
Cp,gas 412.40 J/mol×K 785.79 Joback Calculated Property

Similar Compounds

2,3,4-trifluorobenzoic acid, 3-chloroprop-2-enyl ester. 2,3,4-Trifluorobenzoic acid, 3-methylbut-2-enyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2,3,4-Trifluorobenzoic acid, ethyl ester. 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester. 2,3,4-Trifluorobenzoic acid, undec-2-enyl ester. 4-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester. 2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester. Pentafluorobenzoic acid, pent-2-en-4-ynyl ester. 2-Fluorobenzoic acid, 3-chloroprop-2-enyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 2-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, pent-2-en-4-ynyl ester.

Sources

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