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Chemical Properties of 2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester

2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester

InChI
InChI=1S/C11H7F3O2/c1-3-6(2)16-11(15)7-4-5-8(12)10(14)9(7)13/h1,4-6H,2H3
InChI Key
FMXYCPDFVXHTHE-UHFFFAOYSA-N
Formula
C11H7F3O2
SMILES
C#CC(C)OC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
228.17
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Physical Properties

Property Value Unit Source
ΔfusH° 28.60 kJ/mol Joback Calculated Property
logPoct/wat 2.282 Crippen Calculated Property
McVol 146.240 ml/mol McGowan Calculated Property
Inp [1285.50; 1285.50]   Show Hide
Inp 1285.50 NIST
Inp 1285.50 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [332.50; 387.99] J/mol×K [556.48; 756.87] Show Hide
Cp,gas 332.50 J/mol×K 556.48 Joback Calculated Property
Cp,gas 343.12 J/mol×K 589.88 Joback Calculated Property
Cp,gas 353.17 J/mol×K 623.28 Joback Calculated Property
Cp,gas 362.68 J/mol×K 656.67 Joback Calculated Property
Cp,gas 371.64 J/mol×K 690.07 Joback Calculated Property
Cp,gas 380.08 J/mol×K 723.47 Joback Calculated Property
Cp,gas 387.99 J/mol×K 756.87 Joback Calculated Property

Similar Compounds

2,3,4-Trifluorobenzoic acid, ethyl ester. 2-Fluorobenzoic acid, but-3-yn-2-yl ester. 2,3,4-trifluorobenzoic acid, hex-4-yn-3-yl ester. 3-Fluorobenzoic acid, but-3-yn-2-yl ester. 2,4-Difluorobenzoic acid, isopropyl ester. 2,6-difluorobenzoic acid, but-3-yn-2-yl ester. 2,3,4-trifluorobenzoic acid, 3-chloroprop-2-enyl ester. 3,4-Difluorobenzoic acid, isopropyl ester. 4-Fluorobenzoic acid, but-3-yn-2-yl ester. 2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester. 2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester. 2,5-Difluorobenzoic acid, isopropyl ester. 2,3,4-Trifluorobenzoic acid, 3-methylbut-2-enyl ester. 2,4-Difluorobenzoic acid, ethyl ester. 2,3,4-trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester.

Sources

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