Chemical Properties of 2-Trifluoromethylbenzoic acid, pentafluorophenyl ester

2-Trifluoromethylbenzoic acid, pentafluorophenyl ester

InChI
InChI=1S/C14H4F8O2/c15-7-8(16)10(18)12(11(19)9(7)17)24-13(23)5-3-1-2-4-6(5)14(20,21)22/h1-4H
InChI Key
JZVVLXIXJOGIGX-UHFFFAOYSA-N
Formula
C14H4F8O2
SMILES
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1C(F)(F)F
Molecular Weight1
356.17
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Physical Properties

Property Value Unit Source
ΔfusH° 39.36 kJ/mol Joback Calculated Property
log10WS -6.50 Relay (1.0) Calculated Property
logPoct/wat 4.620 Crippen Calculated Property
McVol 182.200 ml/mol McGowan Calculated Property
Inp [1516.00; 1516.00]   Show Hide
Inp 1516.00 NIST
Inp 1516.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [283.73; 552.45] 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 A5.78100e+01
Coefficient B9.84400e-01
Coefficient C-6.06360e-04
Coefficient D1.16600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 283.73 J/mol×K 273.00 Calculated Property
Cp,gas 335.34 J/mol×K 353.78 Calculated Property
Cp,gas 380.65 J/mol×K 434.56 Calculated Property
Cp,gas 420.03 J/mol×K 515.33 Calculated Property
Cp,gas 453.85 J/mol×K 596.11 Calculated Property
Cp,gas 482.48 J/mol×K 676.89 Calculated Property
Cp,gas 506.29 J/mol×K 757.67 Calculated Property
Cp,gas 525.64 J/mol×K 838.44 Calculated Property
Cp,gas 540.90 J/mol×K 919.22 Calculated Property
Cp,gas 552.45 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, pentafluorophenyl ester. Phthalic acid, di(pentafluorophenyl) ester. 2-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,5-difluophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 2-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 2-Trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 2-Trifluoromethylbenzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester. 2-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2-Trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 2-Trifluoromethylbenzoic acid, 2-naphthyl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, pentafluorophenyl ester.

Sources

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