Chemical Properties of Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C12H3F13O2/c13-3-2(4(14)6(16)7(17)5(3)15)8(26)27-1-10(20,21)12(24,25)11(22,23)9(18)19/h9H,1H2
InChI Key
UIAOMAFZCXDVJQ-UHFFFAOYSA-N
Formula
C12H3F13O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
426.13
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Physical Properties

Property Value Unit Source
ΔfusH° 35.99 kJ/mol Joback Calculated Property
IE 10.40 eV Relay (1.0) Calculated Property
logPoct/wat 4.710 Crippen Calculated Property
McVol 186.630 ml/mol McGowan Calculated Property
Inp 1192.00 NIST
Tboil 498.61 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [509.09; 558.00] J/mol×K [582.21; 730.88] Show Hide
Cp,gas 509.09 J/mol×K 582.21 Joback Calculated Property
Cp,gas 518.57 J/mol×K 606.99 Joback Calculated Property
Cp,gas 527.49 J/mol×K 631.77 Joback Calculated Property
Cp,gas 535.87 J/mol×K 656.55 Joback Calculated Property
Cp,gas 543.73 J/mol×K 681.32 Joback Calculated Property
Cp,gas 551.10 J/mol×K 706.10 Joback Calculated Property
Cp,gas 558.00 J/mol×K 730.88 Joback Calculated Property

Similar Compounds

3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, pentafluorobenzyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorobenzyl ester. Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorobenzyl ester. 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. Benzoic acid, 3-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Find more compounds similar to Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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