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

2-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)6-3-1-2-4-7(6)12(20,21)22/h1-4,9H,5H2
InChI Key
VPUHCVJRBSAKGV-UHFFFAOYSA-N
Formula
C13H7F11O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1C(F)(F)F
Molecular Weight1
404.18
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Physical Properties

Property Value Unit Source
ΔfusH° 28.15 kJ/mol Joback Calculated Property
log10WS -6.04 Relay (1.0) Calculated Property
logPoct/wat 5.033 Crippen Calculated Property
McVol 197.180 ml/mol McGowan Calculated Property
Inp [1290.00; 1290.00]   Show Hide
Inp 1290.00 NIST
Inp 1290.00 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, Ionization energy 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 [540.39; 602.92] J/mol×K [565.53; 723.96] Show Hide
Cp,gas 540.39 J/mol×K 565.53 Joback Calculated Property
Cp,gas 552.92 J/mol×K 591.94 Joback Calculated Property
Cp,gas 564.54 J/mol×K 618.34 Joback Calculated Property
Cp,gas 575.30 J/mol×K 644.75 Joback Calculated Property
Cp,gas 585.25 J/mol×K 671.15 Joback Calculated Property
Cp,gas 594.44 J/mol×K 697.56 Joback Calculated Property
Cp,gas 602.92 J/mol×K 723.96 Joback Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. 1-Naphthoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Bromobenzoic 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. Phthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester. Phthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. 2-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester.

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

Sources

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