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

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

InChI
InChI=1S/C13H15F3O3/c1-6(2)7(3)19-13(17)8-5-9(14)11(16)12(18-4)10(8)15/h5-7H,1-4H3
InChI Key
FYPUOUBIXLJJJI-UHFFFAOYSA-N
Formula
C13H15F3O3
SMILES
COc1c(F)c(F)cc(C(=O)OC(C)C(C)C)c1F
Molecular Weight1
276.25
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Physical Properties

Property Value Unit Source
ΔfusH° 28.08 kJ/mol Joback Calculated Property
logPoct/wat 3.314 Crippen Calculated Property
McVol 188.890 ml/mol McGowan Calculated Property
Inp [1543.00; 1543.00]   Show Hide
Inp 1543.00 NIST
Inp 1543.00 NIST
Tboil 525.97 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [492.87; 563.64] J/mol×K [639.08; 826.49] Show Hide
Cp,gas 492.87 J/mol×K 639.08 Joback Calculated Property
Cp,gas 506.29 J/mol×K 670.31 Joback Calculated Property
Cp,gas 519.07 J/mol×K 701.55 Joback Calculated Property
Cp,gas 531.20 J/mol×K 732.78 Joback Calculated Property
Cp,gas 542.67 J/mol×K 764.02 Joback Calculated Property
Cp,gas 553.49 J/mol×K 795.25 Joback Calculated Property
Cp,gas 563.64 J/mol×K 826.49 Joback Calculated Property

Similar Compounds

2,4,5-Trifluoro-3-methoxybenzoic acid, 2-pentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, isobutyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl 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, 2-methylpentyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-pentadecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-tetradecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-tridecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-pentadecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-tetradecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 5-tetradecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 6-tetradecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-tridecyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 5-tridecyl ester.

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

Sources

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