Chemical Properties of 6-Fluoro-3-trifluoromethylbenzoic acid, 2-methoxyethyl ester

6-Fluoro-3-trifluoromethylbenzoic acid, 2-methoxyethyl ester

InChI
InChI=1S/C11H10F4O3/c1-17-4-5-18-10(16)8-6-7(11(13,14)15)2-3-9(8)12/h2-3,6H,4-5H2,1H3
InChI Key
LHSMRFPKJSFVJD-UHFFFAOYSA-N
Formula
C11H10F4O3
SMILES
COCCOC(=O)c1cc(C(F)(F)F)ccc1F
Molecular Weight1
266.19
Other Names
  • 6-Fluoro-3-trifluorobenzoic acid, 2-methoxyethyl ester
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 27.97 kJ/mol Joback Calculated Property
logPoct/wat 2.648 Crippen Calculated Property
McVol 162.480 ml/mol McGowan Calculated Property
Inp [1370.00; 1370.00]   Show Hide
Inp 1370.00 NIST
Inp 1370.00 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 [249.75; 518.58] 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 A3.83820e+01
Coefficient B9.05920e-01
Coefficient C-5.03520e-04
Coefficient D7.78000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 249.75 J/mol×K 273.00 Calculated Property
Cp,gas 299.30 J/mol×K 353.78 Calculated Property
Cp,gas 343.35 J/mol×K 434.56 Calculated Property
Cp,gas 382.16 J/mol×K 515.33 Calculated Property
Cp,gas 415.97 J/mol×K 596.11 Calculated Property
Cp,gas 445.02 J/mol×K 676.89 Calculated Property
Cp,gas 469.56 J/mol×K 757.67 Calculated Property
Cp,gas 489.83 J/mol×K 838.44 Calculated Property
Cp,gas 506.09 J/mol×K 919.22 Calculated Property
Cp,gas 518.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

6-Fluoro-3-trifluoromethylbenzoic acid, 2-ethoxyethyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, ethyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, propyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-dimethylaminoethyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, isobutyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, butyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, hexyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, pentyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, heptyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, octyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, dodecyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, pentadecyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, octadecyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, eicosyl ester.

Find more compounds similar to 6-Fluoro-3-trifluoromethylbenzoic acid, 2-methoxyethyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.