Chemical Properties of 3-Trifluoromethylbenzoic acid, 3-methylbutyl ester

InChI

InChI=1S/C13H15F3O2/c1-9(2)6-7-18-12(17)10-4-3-5-11(8-10)13(14,15)16/h3-5,8-9H,6-7H2,1-2H3

InChI Key

MCFOSEGGCVXVNT-UHFFFAOYSA-N

Formula

C13H15F3O2

SMILES

CC(C)CCOC(=O)c1cccc(C(F)(F)F)c1

Molecular Weight¹

260.25

• 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	[470.99; 545.96]	J/mol×K	[598.93; 790.86]
Cp,gas	470.99	J/mol×K	598.93	Joback Calculated Property
Cp,gas	485.54	J/mol×K	630.92	Joback Calculated Property
Cp,gas	499.22	J/mol×K	662.91	Joback Calculated Property
Cp,gas	512.08	J/mol×K	694.89	Joback Calculated Property
Cp,gas	524.13	J/mol×K	726.88	Joback Calculated Property
Cp,gas	535.41	J/mol×K	758.87	Joback Calculated Property
Cp,gas	545.96	J/mol×K	790.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 3-methylbutyl ester.

Sources

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

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