Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester

2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester

InChI
InChI=1S/C15H7F7O2/c16-9-2-1-3-10(7-9)24-13(23)11-6-8(14(17,18)19)4-5-12(11)15(20,21)22/h1-7H
InChI Key
LWBRNIAJKIFWCD-UHFFFAOYSA-N
Formula
C15H7F7O2
SMILES
O=C(Oc1cccc(F)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
352.20
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Physical Properties

Property Value Unit Source
ΔfH°gas -1640.99 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.62 kJ/mol Joback Calculated Property
ΔvapH° 79.53 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.082 Crippen Calculated Property
McVol 194.520 ml/mol McGowan Calculated Property
Inp [1528.00; 1528.00]   Show Hide
Inp 1528.00 NIST
Inp 1528.00 NIST
Tboil 560.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [287.64; 607.56] 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-1.65600e+01
Coefficient B1.37190e+00
Coefficient C-1.01728e-03
Coefficient D2.69500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 287.64 J/mol×K 273.00 Calculated Property
Cp,gas 353.40 J/mol×K 353.78 Calculated Property
Cp,gas 409.62 J/mol×K 434.56 Calculated Property
Cp,gas 457.15 J/mol×K 515.33 Calculated Property
Cp,gas 496.84 J/mol×K 596.11 Calculated Property
Cp,gas 529.55 J/mol×K 676.89 Calculated Property
Cp,gas 556.12 J/mol×K 757.67 Calculated Property
Cp,gas 577.41 J/mol×K 838.44 Calculated Property
Cp,gas 594.28 J/mol×K 919.22 Calculated Property
Cp,gas 607.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 3,5-difluophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 6-Fluoro-2-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-nitrophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dichlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester.

Sources

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