Chemical Properties of 3'-Trifluoromethylisobutyranilide (CAS 1939-27-1)

InChI

InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)

InChI Key

GETMKVRSDFVVHL-UHFFFAOYSA-N

Formula

C11H12F3NO

SMILES

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

Molecular Weight¹

231.21

CAS

1939-27-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.11; 466.98]	J/mol×K	[580.92; 780.34]
Cp,gas	399.11	J/mol×K	580.92	Joback Calculated Property
Cp,gas	412.51	J/mol×K	614.16	Joback Calculated Property
Cp,gas	425.01	J/mol×K	647.39	Joback Calculated Property
Cp,gas	436.67	J/mol×K	680.63	Joback Calculated Property
Cp,gas	447.51	J/mol×K	713.87	Joback Calculated Property
Cp,gas	457.60	J/mol×K	747.10	Joback Calculated Property
Cp,gas	466.98	J/mol×K	780.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3'-Trifluoromethylisobutyranilide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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