Chemical Properties of Benzonitrile, m-phenethyl- (CAS 34176-91-5)

InChI

InChI=1S/C15H13N/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2

InChI Key

YAGSUWLZZOQMMN-UHFFFAOYSA-N

Formula

C15H13N

SMILES

N#Cc1cccc(CCc2ccccc2)c1

Molecular Weight¹

207.27

CAS

34176-91-5

Other Names

• 3-(2-Phenylethyl)benzonitrile
• 1-(3-Cyanophenyl)-2-phenylethane

• ω : Acentric Factor.
• 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).
• 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).
• 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	[449.70; 519.55]	J/mol×K	[703.02; 950.93]
Cp,gas	449.70	J/mol×K	703.02	Joback Calculated Property
Cp,gas	463.97	J/mol×K	744.34	Joback Calculated Property
Cp,gas	477.08	J/mol×K	785.66	Joback Calculated Property
Cp,gas	489.12	J/mol×K	826.97	Joback Calculated Property
Cp,gas	500.15	J/mol×K	868.29	Joback Calculated Property
Cp,gas	510.27	J/mol×K	909.61	Joback Calculated Property
Cp,gas	519.55	J/mol×K	950.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzonitrile, m-phenethyl-.

Sources

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

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