Chemical Properties of 3-Trifluoromethylbenzoylacetonitrile (CAS 27328-86-5)

InChI

InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6H,4H2

InChI Key

GEPORLBYZLQDOB-UHFFFAOYSA-N

Formula

C10H6F3NO

SMILES

N#CCC(=O)c1cccc(C(F)(F)F)c1

Molecular Weight¹

213.16

CAS

27328-86-5

• 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	[328.62; 376.66]	J/mol×K	[610.39; 823.29]
Cp,gas	328.62	J/mol×K	610.39	Joback Calculated Property
Cp,gas	338.38	J/mol×K	645.87	Joback Calculated Property
Cp,gas	347.37	J/mol×K	681.36	Joback Calculated Property
Cp,gas	355.64	J/mol×K	716.84	Joback Calculated Property
Cp,gas	363.25	J/mol×K	752.33	Joback Calculated Property
Cp,gas	370.24	J/mol×K	787.81	Joback Calculated Property
Cp,gas	376.66	J/mol×K	823.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoylacetonitrile.

Sources

• 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.