Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, isopropyl ester

2,4,5-Trifluoro-3-methoxybenzoic acid, isopropyl ester

InChI
InChI=1S/C11H11F3O3/c1-5(2)17-11(15)6-4-7(12)9(14)10(16-3)8(6)13/h4-5H,1-3H3
InChI Key
NWLHVQCFZQCHIA-UHFFFAOYSA-N
Formula
C11H11F3O3
SMILES
COc1c(F)c(F)cc(C(=O)OC(C)C)c1F
Molecular Weight1
248.20
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Physical Properties

Property Value Unit Source
ΔfusH° 28.00 kJ/mol Joback Calculated Property
logPoct/wat 2.678 Crippen Calculated Property
McVol 160.710 ml/mol McGowan Calculated Property
Inp 1376.00 NIST
Tboil 495.86 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [247.80; 504.50] 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 A8.36800e+01
Coefficient B6.55260e-01
Coefficient C-1.84440e-04
Coefficient D-5.00000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 247.80 J/mol×K 273.00 Calculated Property
Cp,gas 290.20 J/mol×K 353.78 Calculated Property
Cp,gas 329.49 J/mol×K 434.56 Calculated Property
Cp,gas 365.53 J/mol×K 515.33 Calculated Property
Cp,gas 398.16 J/mol×K 596.11 Calculated Property
Cp,gas 427.20 J/mol×K 676.89 Calculated Property
Cp,gas 452.52 J/mol×K 757.67 Calculated Property
Cp,gas 473.95 J/mol×K 838.44 Calculated Property
Cp,gas 491.33 J/mol×K 919.22 Calculated Property
Cp,gas 504.50 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Methoxy-2,4,5-trifluorobenzoic acid, ethyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, propyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl-2 ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, isobutyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-pentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,2-trichloroethyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, butyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, methyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, neopentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-tridecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-tetradecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, hexyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octyl ester.

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, isopropyl ester.

Sources

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