Chemical Properties of Benzonitrile, 3,5-bis(trifluoromethyl)-

InChI

InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H

InChI Key

CZKHHAOIHXHOSR-UHFFFAOYSA-N

Formula

C9H3F6N

SMILES

N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Molecular Weight¹

239.12

Other Names

• 3,5-di(Trifluoromethyl)benzonitrile
• Bis(3,5-trifluoromethyl)benzonitrile
• Benzonitrile, 3,5-bis(trifluoromethyl)-
• 3,5-Bis(trifluoromethyl)-1-cyanobenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[300.29; 345.34]	J/mol×K	[533.20; 725.09]
Cp,gas	300.29	J/mol×K	533.20	Joback Calculated Property
Cp,gas	309.50	J/mol×K	565.18	Joback Calculated Property
Cp,gas	317.96	J/mol×K	597.16	Joback Calculated Property
Cp,gas	325.72	J/mol×K	629.15	Joback Calculated Property
Cp,gas	332.84	J/mol×K	661.13	Joback Calculated Property
Cp,gas	339.36	J/mol×K	693.11	Joback Calculated Property
Cp,gas	345.34	J/mol×K	725.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzonitrile, 3,5-bis(trifluoromethyl)-.

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.