Chemical Properties of 2-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester

2-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester

InChI
InChI=1S/C14H7Cl2F3O2/c15-11-6-5-8(7-12(11)16)21-13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H
InChI Key
ARUYKWLNOSAXED-UHFFFAOYSA-N
Formula
C14H7Cl2F3O2
SMILES
O=C(Oc1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F
Molecular Weight1
335.11
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Physical Properties

Property Value Unit Source
ΔfusH° 33.52 kJ/mol Joback Calculated Property
log10WS -5.69 Relay (1.0) Calculated Property
logPoct/wat 5.231 Crippen Calculated Property
McVol 197.830 ml/mol McGowan Calculated Property
Inp 1966.00 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 [261.90; 542.76] 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 A1.02400e+01
Coefficient B1.11750e+00
Coefficient C-7.66280e-04
Coefficient D1.81300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 261.90 J/mol×K 273.00 Calculated Property
Cp,gas 317.71 J/mol×K 353.78 Calculated Property
Cp,gas 366.03 J/mol×K 434.56 Calculated Property
Cp,gas 407.44 J/mol×K 515.33 Calculated Property
Cp,gas 442.50 J/mol×K 596.11 Calculated Property
Cp,gas 471.80 J/mol×K 676.89 Calculated Property
Cp,gas 495.90 J/mol×K 757.67 Calculated Property
Cp,gas 515.38 J/mol×K 838.44 Calculated Property
Cp,gas 530.81 J/mol×K 919.22 Calculated Property
Cp,gas 542.76 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 3,4-dichlorophenyl ester. 2-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 2-Trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 2-Trifluoromethylbenzoic acid, 2-chlorophenyl ester. 2-Trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2,3-dichlorophenyl ester. 3-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 2-Trifluoromethylbenzoic acid, phenyl ester. o-Toluic acid, 3,4-dichlorophenyl ester.

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

Sources

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