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

Pentafluorobenzoic acid, but-3-yn-2-yl ester

InChI
InChI=1S/C11H5F5O2/c1-3-4(2)18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h1,4H,2H3
InChI Key
KWGBKJUEKIANIM-UHFFFAOYSA-N
Formula
C11H5F5O2
SMILES
C#CC(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
264.15
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Physical Properties

Property Value Unit Source
ΔfusH° 33.98 kJ/mol Joback Calculated Property
IE 9.91 eV Relay (1.0) Calculated Property
logPoct/wat 2.561 Crippen Calculated Property
McVol 149.780 ml/mol McGowan Calculated Property
Inp 1020.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [347.51; 396.23] J/mol×K [564.98; 749.60] Show Hide
Cp,gas 347.51 J/mol×K 564.98 Joback Calculated Property
Cp,gas 356.65 J/mol×K 595.75 Joback Calculated Property
Cp,gas 365.39 J/mol×K 626.52 Joback Calculated Property
Cp,gas 373.72 J/mol×K 657.29 Joback Calculated Property
Cp,gas 381.63 J/mol×K 688.06 Joback Calculated Property
Cp,gas 389.14 J/mol×K 718.83 Joback Calculated Property
Cp,gas 396.23 J/mol×K 749.60 Joback Calculated Property

Similar Compounds

Pentafluorobenzoic acid, isopropyl ester. Prop-2-ynyl 2,3,4,5,6-pentafluorobenzoate. 2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester. Pentafluorobenzoic acid, ethyl ester. Pentafluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2-butyl ester. 2,6-difluorobenzoic acid, but-3-yn-2-yl ester. Ethane-1,2-diyl bis(2,3,4,5,6-pentafluorobenzoate). Pentafluorobenzoic acid, propyl ester. 2-Methoxyethyl 2,3,4,5,6-pentafluorobenzoate. 3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate. 2-Ethoxyethyl 2,3,4,5,6-pentafluorobenzoate. 2,2-Dichloroethyl 2,3,4,5,6-pentafluorobenzoate. 2-(2-Ethoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. Propane-1,3-diyl bis(2,3,4,5,6-pentafluorobenzoate).

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

Sources

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