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° 37.58 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; 1192.00]   Show Hide
Inp 1192.00 NIST
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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [333.77; 609.66] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.90610e+01
Coefficient B1.24930e+00
Coefficient C-9.62200e-04
Coefficient D2.63500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 333.77 J/mol×K 273.00 Calculated Property
Cp,gas 392.28 J/mol×K 353.78 Calculated Property
Cp,gas 441.87 J/mol×K 434.56 Calculated Property
Cp,gas 483.40 J/mol×K 515.33 Calculated Property
Cp,gas 517.68 J/mol×K 596.11 Calculated Property
Cp,gas 545.56 J/mol×K 676.89 Calculated Property
Cp,gas 567.86 J/mol×K 757.67 Calculated Property
Cp,gas 585.43 J/mol×K 838.44 Calculated Property
Cp,gas 599.08 J/mol×K 919.22 Calculated Property
Cp,gas 609.66 J/mol×K 1000.00 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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