Chemical Properties of 2,6-difluorobenzoic acid, but-3-yn-2-yl ester

2,6-difluorobenzoic acid, but-3-yn-2-yl ester

InChI
InChI=1S/C11H8F2O2/c1-3-7(2)15-11(14)10-8(12)5-4-6-9(10)13/h1,4-7H,2H3
InChI Key
GDWZNZBLLTYAED-UHFFFAOYSA-N
Formula
C11H8F2O2
SMILES
C#CC(C)OC(=O)c1c(F)cccc1F
Molecular Weight1
210.18
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Physical Properties

Property Value Unit Source
ΔfusH° 27.49 kJ/mol Joback Calculated Property
IE 9.57 eV Relay (1.0) Calculated Property
log10WS -3.52 Relay (1.0) Calculated Property
logPoct/wat 2.143 Crippen Calculated Property
McVol 144.470 ml/mol McGowan Calculated Property
Inp 1306.60 NIST
Tfus 289.87 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [321.75; 382.32] J/mol×K [534.36; 741.12] Show Hide
Cp,gas 321.75 J/mol×K 534.36 Joback Calculated Property
Cp,gas 333.54 J/mol×K 568.82 Joback Calculated Property
Cp,gas 344.63 J/mol×K 603.28 Joback Calculated Property
Cp,gas 355.03 J/mol×K 637.74 Joback Calculated Property
Cp,gas 364.77 J/mol×K 672.20 Joback Calculated Property
Cp,gas 373.86 J/mol×K 706.66 Joback Calculated Property
Cp,gas 382.32 J/mol×K 741.12 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, but-3-yn-2-yl ester. 2,6-Difluorobenzoic acid, ethyl ester. 2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester. 2,6-Difluorobenzoic 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, 3-chloroprop-2-enyl ester. 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester. 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 2,5-Difluorobenzoic acid, isopropyl ester. 4-Fluorobenzoic acid, but-3-yn-2-yl ester. 2,6-Difluorobenzoic acid, 3-methylbut-2-enyl ester. Benzoic acid, 2-fluoro-, ethyl ester. 2-Fluorobenzoic acid, hex-4-yn-3-yl ester. Propyl 2-fluorobenzoate.

Find more compounds similar to 2,6-difluorobenzoic acid, but-3-yn-2-yl ester.

Sources

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