Chemical Properties of 2-Fluoro-3-trifluoromethylbenzoic acid, 2-ethylhexyl ester

InChI

InChI=1S/C16H20F4O2/c1-3-5-7-11(4-2)10-22-15(21)12-8-6-9-13(14(12)17)16(18,19)20/h6,8-9,11H,3-5,7,10H2,1-2H3

InChI Key

VUAKWQAFCBLWEY-UHFFFAOYSA-N

Formula

C16H20F4O2

SMILES

CCCCC(CC)COC(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

320.33

• 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).
• P_c : Critical Pressure (kPa).
• 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 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	[634.14; 712.72]	J/mol×K	[671.82; 852.66]
Cp,gas	634.14	J/mol×K	671.82	Joback Calculated Property
Cp,gas	649.25	J/mol×K	701.96	Joback Calculated Property
Cp,gas	663.52	J/mol×K	732.10	Joback Calculated Property
Cp,gas	676.97	J/mol×K	762.24	Joback Calculated Property
Cp,gas	689.63	J/mol×K	792.38	Joback Calculated Property
Cp,gas	701.54	J/mol×K	822.52	Joback Calculated Property
Cp,gas	712.72	J/mol×K	852.66	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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