Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester

InChI

InChI=1S/C16H10F6O2/c1-9-3-2-4-11(7-9)24-14(23)12-8-10(15(17,18)19)5-6-13(12)16(20,21)22/h2-8H,1H3

InChI Key

KMOKEJLRHGESTA-UHFFFAOYSA-N

Formula

C16H10F6O2

SMILES

Cc1cccc(OC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1

Molecular Weight¹

348.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[565.23; 628.27]	J/mol×K	[681.36; 882.46]
Cp,gas	565.23	J/mol×K	681.36	Joback Calculated Property
Cp,gas	578.13	J/mol×K	714.88	Joback Calculated Property
Cp,gas	589.99	J/mol×K	748.39	Joback Calculated Property
Cp,gas	600.88	J/mol×K	781.91	Joback Calculated Property
Cp,gas	610.84	J/mol×K	815.43	Joback Calculated Property
Cp,gas	619.95	J/mol×K	848.94	Joback Calculated Property
Cp,gas	628.27	J/mol×K	882.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl 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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