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

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

InChI
InChI=1S/C13H7F11O2/c14-9(15)11(18,19)13(23,24)10(16,17)5-26-8(25)6-2-1-3-7(4-6)12(20,21)22/h1-4,9H,5H2
InChI Key
ZXDORYUOULXMLE-UHFFFAOYSA-N
Formula
C13H7F11O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1
Molecular Weight1
404.18
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Physical Properties

Property Value Unit Source
ΔfusH° 28.15 kJ/mol Joback Calculated Property
logPoct/wat 5.033 Crippen Calculated Property
McVol 197.180 ml/mol McGowan Calculated Property
Inp [1268.00; 1268.00]   Show Hide
Inp 1268.00 NIST
Inp 1268.00 NIST
Tboil 523.69 K Relay (1.0) Calculated Property
Tfus 335.88 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy, 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 [326.92; 660.74] 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 A-3.56990e+01
Coefficient B1.68450e+00
Coefficient C-1.42376e-03
Coefficient D4.35700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 326.92 J/mol×K 273.00 Calculated Property
Cp,gas 401.34 J/mol×K 353.78 Calculated Property
Cp,gas 463.20 J/mol×K 434.56 Calculated Property
Cp,gas 513.90 J/mol×K 515.33 Calculated Property
Cp,gas 554.81 J/mol×K 596.11 Calculated Property
Cp,gas 587.31 J/mol×K 676.89 Calculated Property
Cp,gas 612.77 J/mol×K 757.67 Calculated Property
Cp,gas 632.58 J/mol×K 838.44 Calculated Property
Cp,gas 648.11 J/mol×K 919.22 Calculated Property
Cp,gas 660.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. 2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 3-methyl-, 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. 6-Fluoro-3-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. Isophthalic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester. Isophthalic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester. Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester.

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

Sources

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