Chemical Properties of 2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester

2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester

InChI
InChI=1S/C21H14F4O3/c22-19-17(7-4-8-18(19)21(23,24)25)20(26)28-16-11-9-15(10-12-16)27-13-14-5-2-1-3-6-14/h1-12H,13H2
InChI Key
UHJLUJULWCGDRF-UHFFFAOYSA-N
Formula
C21H14F4O3
SMILES
O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1F
Molecular Weight1
390.33
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Physical Properties

Property Value Unit Source
ΔfusH° 41.56 kJ/mol Joback Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
log10WS -6.21 Relay (1.0) Calculated Property
logPoct/wat 5.643 Crippen Calculated Property
McVol 255.860 ml/mol McGowan Calculated Property
Inp [2670.00; 2670.00]   Show Hide
Inp 2670.00 NIST
Inp 2670.00 NIST
Tboil 688.91 K Relay (1.0) Calculated Property
Tfus 349.32 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 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 [349.93; 794.40] 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-2.42190e+01
Coefficient B1.63860e+00
Coefficient C-1.04288e-03
Coefficient D2.22900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 349.93 J/mol×K 273.00 Calculated Property
Cp,gas 434.83 J/mol×K 353.78 Calculated Property
Cp,gas 509.20 J/mol×K 434.56 Calculated Property
Cp,gas 573.76 J/mol×K 515.33 Calculated Property
Cp,gas 629.20 J/mol×K 596.11 Calculated Property
Cp,gas 676.24 J/mol×K 676.89 Calculated Property
Cp,gas 715.57 J/mol×K 757.67 Calculated Property
Cp,gas 747.90 J/mol×K 838.44 Calculated Property
Cp,gas 773.95 J/mol×K 919.22 Calculated Property
Cp,gas 794.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Fluoro-3-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3-methylphenyl ester. 2-Fluoro-6-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 3-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2-Fluorobenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 2,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-benzyloxyphenyl ester.

Find more compounds similar to 2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester.

Sources

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