Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-methylpentyl ester

3-Methoxy-2,4,5-trifluorobenzoic acid, 2-methylpentyl ester

InChI
InChI=1S/C14H17F3O3/c1-4-5-8(2)7-20-14(18)9-6-10(15)12(17)13(19-3)11(9)16/h6,8H,4-5,7H2,1-3H3
InChI Key
RNFXUPMRYFKAQH-UHFFFAOYSA-N
Formula
C14H17F3O3
SMILES
CCCC(C)COC(=O)c1cc(F)c(F)c(OC)c1F
Molecular Weight1
290.28
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Physical Properties

Property Value Unit Source
ΔfusH° 35.77 kJ/mol Joback Calculated Property
logPoct/wat 3.706 Crippen Calculated Property
McVol 202.980 ml/mol McGowan Calculated Property
Inp 1689.00 NIST
Tboil 552.82 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 [311.44; 659.27] 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 A8.09530e+01
Coefficient B9.40260e-01
Coefficient C-3.47640e-04
Coefficient D-1.43000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 311.44 J/mol×K 273.00 Calculated Property
Cp,gas 369.45 J/mol×K 353.78 Calculated Property
Cp,gas 422.73 J/mol×K 434.56 Calculated Property
Cp,gas 471.22 J/mol×K 515.33 Calculated Property
Cp,gas 514.89 J/mol×K 596.11 Calculated Property
Cp,gas 553.69 J/mol×K 676.89 Calculated Property
Cp,gas 587.57 J/mol×K 757.67 Calculated Property
Cp,gas 616.49 J/mol×K 838.44 Calculated Property
Cp,gas 640.41 J/mol×K 919.22 Calculated Property
Cp,gas 659.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,4,5-Trifluoro-3-methoxybenzoic acid, 2-ethylhexyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, cyclohexylmethyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, isohexyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl 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, octadecyl 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, decyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, hexadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octyl ester.

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-methylpentyl ester.

Sources

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