Chemical Properties of Glutaric acid, ethyl 2-fluoro-6-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C15H16F4O4/c1-2-22-13(20)7-4-8-14(21)23-9-10-11(15(17,18)19)5-3-6-12(10)16/h3,5-6H,2,4,7-9H2,1H3

InChI Key

FXGYQLVZJMCYSH-UHFFFAOYSA-N

Formula

C15H16F4O4

SMILES

CCOC(=O)CCCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

336.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[616.92; 683.96]	J/mol×K	[689.73; 871.43]
Cp,gas	616.92	J/mol×K	689.73	Joback Calculated Property
Cp,gas	630.19	J/mol×K	720.01	Joback Calculated Property
Cp,gas	642.59	J/mol×K	750.30	Joback Calculated Property
Cp,gas	654.15	J/mol×K	780.58	Joback Calculated Property
Cp,gas	664.88	J/mol×K	810.86	Joback Calculated Property
Cp,gas	674.81	J/mol×K	841.15	Joback Calculated Property
Cp,gas	683.96	J/mol×K	871.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 2-fluoro-6-(trifluoromethyl)benzyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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