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

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

InChI
InChI=1S/C13H15F3O3/c1-13(2,3)6-19-12(17)7-5-8(14)10(16)11(18-4)9(7)15/h5H,6H2,1-4H3
InChI Key
NPFGROSBKBLGQG-UHFFFAOYSA-N
Formula
C13H15F3O3
SMILES
COc1c(F)c(F)cc(C(=O)OCC(C)(C)C)c1F
Molecular Weight1
276.25
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Physical Properties

Property Value Unit Source
ΔfusH° 29.29 kJ/mol Joback Calculated Property
logPoct/wat 3.315 Crippen Calculated Property
McVol 188.890 ml/mol McGowan Calculated Property
Inp 1533.00 NIST
Tboil 533.84 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 [289.08; 608.61] 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 A5.90710e+01
Coefficient B9.65180e-01
Coefficient C-4.61840e-04
Coefficient D4.62000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 289.08 J/mol×K 273.00 Calculated Property
Cp,gas 344.77 J/mol×K 353.78 Calculated Property
Cp,gas 395.07 J/mol×K 434.56 Calculated Property
Cp,gas 440.13 J/mol×K 515.33 Calculated Property
Cp,gas 480.10 J/mol×K 596.11 Calculated Property
Cp,gas 515.11 J/mol×K 676.89 Calculated Property
Cp,gas 545.33 J/mol×K 757.67 Calculated Property
Cp,gas 570.88 J/mol×K 838.44 Calculated Property
Cp,gas 591.93 J/mol×K 919.22 Calculated Property
Cp,gas 608.61 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Methoxy-2,4,5-trifluorobenzoic acid, isobutyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, propyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, ethyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, butyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,2-trichloroethyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl-2 ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, methyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, isopropyl 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, tetradecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, undecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentadecyl ester.

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

Sources

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