Chemical Properties of 2-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester

2-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C14H7BrF4O2/c15-11-7-8(16)5-6-12(11)21-13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H
InChI Key
TZOAFPPYRMIKQT-UHFFFAOYSA-N
Formula
C14H7BrF4O2
SMILES
O=C(Oc1ccc(F)cc1Br)c1ccccc1C(F)(F)F
Molecular Weight1
363.10
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Physical Properties

Property Value Unit Source
ΔfusH° 33.49 kJ/mol Joback Calculated Property
log10WS -5.43 Relay (1.0) Calculated Property
logPoct/wat 4.826 Crippen Calculated Property
McVol 192.620 ml/mol McGowan Calculated Property
Inp [1874.00; 1874.00]   Show Hide
Inp 1874.00 NIST
Inp 1874.00 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 [257.27; 542.36] 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-1.26000e+00
Coefficient B1.15390e+00
Coefficient C-8.13280e-04
Coefficient D2.03000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 257.27 J/mol×K 273.00 Calculated Property
Cp,gas 314.16 J/mol×K 353.78 Calculated Property
Cp,gas 363.25 J/mol×K 434.56 Calculated Property
Cp,gas 405.18 J/mol×K 515.33 Calculated Property
Cp,gas 440.60 J/mol×K 596.11 Calculated Property
Cp,gas 470.13 J/mol×K 676.89 Calculated Property
Cp,gas 494.43 J/mol×K 757.67 Calculated Property
Cp,gas 514.15 J/mol×K 838.44 Calculated Property
Cp,gas 529.91 J/mol×K 919.22 Calculated Property
Cp,gas 542.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, phenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, phenyl ester. Isophthalic acid, di(2-bromo-4-fluorophenyl) ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-nitrophenyl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester.

Sources

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