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

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

InChI
InChI=1S/C11H10F4O3/c1-17-4-5-18-10(16)7-2-3-8(9(12)6-7)11(13,14)15/h2-3,6H,4-5H2,1H3
InChI Key
IBDXGGLVOLTUGB-UHFFFAOYSA-N
Formula
C11H10F4O3
SMILES
COCCOC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
266.19
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Physical Properties

Property Value Unit Source
ΔfusH° 27.97 kJ/mol Joback Calculated Property
logPoct/wat 2.648 Crippen Calculated Property
McVol 162.480 ml/mol McGowan Calculated Property
Inp [1368.00; 1368.00]   Show Hide
Inp 1368.00 NIST
Inp 1368.00 NIST
Tfus 290.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [249.75; 518.58] 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 A3.83820e+01
Coefficient B9.05920e-01
Coefficient C-5.03520e-04
Coefficient D7.78000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 249.75 J/mol×K 273.00 Calculated Property
Cp,gas 299.30 J/mol×K 353.78 Calculated Property
Cp,gas 343.35 J/mol×K 434.56 Calculated Property
Cp,gas 382.16 J/mol×K 515.33 Calculated Property
Cp,gas 415.97 J/mol×K 596.11 Calculated Property
Cp,gas 445.02 J/mol×K 676.89 Calculated Property
Cp,gas 469.56 J/mol×K 757.67 Calculated Property
Cp,gas 489.83 J/mol×K 838.44 Calculated Property
Cp,gas 506.09 J/mol×K 919.22 Calculated Property
Cp,gas 518.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethoxyethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-chloroethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, isopropyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, methyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-methoxyethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, neopentyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-methoxyethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-ethoxyethyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-methoxyethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 8-chlorooctyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester.

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

Sources

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