Chemical Properties of Pentafluorobenzoic acid, hex-4-yn-3-yl ester

Pentafluorobenzoic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C13H9F5O2/c1-3-5-6(4-2)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h6H,4H2,1-2H3
InChI Key
ZBEFRKYTRGWTFP-UHFFFAOYSA-N
Formula
C13H9F5O2
SMILES
CC#CC(CC)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
292.20
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Physical Properties

Property Value Unit Source
ΔfusH° 40.89 kJ/mol Joback Calculated Property
IE 9.54 eV Relay (1.0) Calculated Property
logPoct/wat 3.341 Crippen Calculated Property
McVol 177.960 ml/mol McGowan Calculated Property
Inp 1388.00 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, 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 [437.15; 497.29] J/mol×K [611.75; 798.72] Show Hide
Cp,gas 437.15 J/mol×K 611.75 Joback Calculated Property
Cp,gas 448.58 J/mol×K 642.91 Joback Calculated Property
Cp,gas 459.45 J/mol×K 674.07 Joback Calculated Property
Cp,gas 469.76 J/mol×K 705.24 Joback Calculated Property
Cp,gas 479.50 J/mol×K 736.40 Joback Calculated Property
Cp,gas 488.68 J/mol×K 767.56 Joback Calculated Property
Cp,gas 497.29 J/mol×K 798.72 Joback Calculated Property

Similar Compounds

2,3,4-trifluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2,6-Difluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2-butyl ester. 2-Fluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Fluorobenzoic acid, hex-4-yn-3-yl ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. 3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-pentyl ester. Pentafluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate. 2,3,4-trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Octan-2-yl 2,3,4,5,6-pentafluorobenzoate. Decan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Find more compounds similar to Pentafluorobenzoic acid, hex-4-yn-3-yl ester.

Sources

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