Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 2-methoxyethyl ester

2,5-Di(trifluoromethyl)benzoic acid, 2-methoxyethyl ester

InChI
InChI=1S/C12H10F6O3/c1-20-4-5-21-10(19)8-6-7(11(13,14)15)2-3-9(8)12(16,17)18/h2-3,6H,4-5H2,1H3
InChI Key
IPNKALWCIHQLKD-UHFFFAOYSA-N
Formula
C12H10F6O3
SMILES
COCCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
316.20
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Physical Properties

Property Value Unit Source
ΔfusH° 29.31 kJ/mol Joback Calculated Property
logPoct/wat 3.527 Crippen Calculated Property
McVol 180.110 ml/mol McGowan Calculated Property
Inp 1286.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [285.91; 585.78] 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 A2.51820e+01
Coefficient B1.15032e+00
Coefficient C-7.62520e-04
Coefficient D1.72800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 285.91 J/mol×K 273.00 Calculated Property
Cp,gas 344.35 J/mol×K 353.78 Calculated Property
Cp,gas 395.25 J/mol×K 434.56 Calculated Property
Cp,gas 439.13 J/mol×K 515.33 Calculated Property
Cp,gas 476.54 J/mol×K 596.11 Calculated Property
Cp,gas 508.04 J/mol×K 676.89 Calculated Property
Cp,gas 534.17 J/mol×K 757.67 Calculated Property
Cp,gas 555.47 J/mol×K 838.44 Calculated Property
Cp,gas 572.49 J/mol×K 919.22 Calculated Property
Cp,gas 585.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 2-ethoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-chloroethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, propyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-methoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isopropyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-(dimethylamino)ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isobutyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-ethoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, butyl ester. 2-Trifluoromethylbenzoic acid, ethyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-methoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, heptyl ester. 2,5-Di(trifluoromethyl)benzoic acid, tridecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, octyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-methoxyethyl ester.

Sources

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