Chemical Properties of 3'-Trifluoromethyl-o-toluanilide (CAS 1939-22-6)

InChI

InChI=1S/C15H12F3NO/c1-10-5-2-3-8-13(10)14(20)19-12-7-4-6-11(9-12)15(16,17)18/h2-9H,1H3,(H,19,20)

InChI Key

VNBKPVJBSIXIJX-UHFFFAOYSA-N

Formula

C15H12F3NO

SMILES

Cc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1

Molecular Weight¹

279.26

CAS

1939-22-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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, 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	[517.51; 583.34]	J/mol×K	[704.74; 927.15]
Cp,gas	517.51	J/mol×K	704.74	Joback Calculated Property
Cp,gas	530.94	J/mol×K	741.81	Joback Calculated Property
Cp,gas	543.28	J/mol×K	778.88	Joback Calculated Property
Cp,gas	554.61	J/mol×K	815.94	Joback Calculated Property
Cp,gas	565.01	J/mol×K	853.01	Joback Calculated Property
Cp,gas	574.56	J/mol×K	890.08	Joback Calculated Property
Cp,gas	583.34	J/mol×K	927.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3'-Trifluoromethyl-o-toluanilide.

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

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.
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