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

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

InChI
InChI=1S/C15H17F3O3/c1-20-14-12(17)10(7-11(16)13(14)18)15(19)21-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3
InChI Key
COWLDMAWAGENJZ-UHFFFAOYSA-N
Formula
C15H17F3O3
SMILES
COc1c(F)c(F)cc(C(=O)OCC2CCCCC2)c1F
Molecular Weight1
302.29
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Physical Properties

Property Value Unit Source
ΔfusH° 33.72 kJ/mol Joback Calculated Property
logPoct/wat 3.850 Crippen Calculated Property
McVol 206.210 ml/mol McGowan Calculated Property
Inp [1925.00; 1925.00]   Show Hide
Inp 1925.00 NIST
Inp 1925.00 NIST
Tboil 601.00 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 [294.85; 695.40] 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 A1.61210e+01
Coefficient B1.15142e+00
Coefficient C-4.79840e-04
Coefficient D7.70000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 294.85 J/mol×K 273.00 Calculated Property
Cp,gas 363.75 J/mol×K 353.78 Calculated Property
Cp,gas 426.50 J/mol×K 434.56 Calculated Property
Cp,gas 483.11 J/mol×K 515.33 Calculated Property
Cp,gas 533.62 J/mol×K 596.11 Calculated Property
Cp,gas 578.04 J/mol×K 676.89 Calculated Property
Cp,gas 616.41 J/mol×K 757.67 Calculated Property
Cp,gas 648.74 J/mol×K 838.44 Calculated Property
Cp,gas 675.06 J/mol×K 919.22 Calculated Property
Cp,gas 695.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,4,5-Trifluoro-3-methoxybenzoic acid, 2-ethylhexyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-methylpentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, isohexyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, undecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, nonyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, nonadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, eicosyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, decyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, tridecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, dodecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, tetradecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octadecyl ester.

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

Sources

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