Chemical Properties of Benzonitrile, 2-(4-methylphenyl)- (CAS 114772-53-1)

InChI

InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3

InChI Key

ZGQVZLSNEBEHFN-UHFFFAOYSA-N

Formula

C14H11N

SMILES

Cc1ccc(-c2ccccc2C#N)cc1

Molecular Weight¹

193.24

CAS

114772-53-1

Other Names

• 2-(4-methylphenyl)benzonitrile
• 2-(p-tolyl)benzonitrile
• 2-(para-tolyl)benzonitrile
• 2-Cyano-4'-methyl biphenyl
• 2-cyano-4'-Methyl Biphenyl (OTBN)
• 2-cyano-4'-methylbiphenyl
• 4'-methyl-[1,1'-biphenyl]-2-carbonitrile
• 4-methyl-2'-cyanobiphenyl
• [1,1'-Biphenyl]-2-carbonitrile, 4'-methyl-

• 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	[397.68; 463.82]	J/mol×K	[685.12; 939.56]
Cp,gas	397.68	J/mol×K	685.12	Joback Calculated Property
Cp,gas	411.24	J/mol×K	727.53	Joback Calculated Property
Cp,gas	423.69	J/mol×K	769.93	Joback Calculated Property
Cp,gas	435.10	J/mol×K	812.34	Joback Calculated Property
Cp,gas	445.55	J/mol×K	854.75	Joback Calculated Property
Cp,gas	455.10	J/mol×K	897.16	Joback Calculated Property
Cp,gas	463.82	J/mol×K	939.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzonitrile, 2-(4-methylphenyl)-.

Mixtures

• Isopropyl Alcohol + Benzonitrile, 2-(4-methylphenyl)-
• (S)-butan-2-ol + Benzonitrile, 2-(4-methylphenyl)-
• Benzonitrile, 2-(4-methylphenyl)- + Acetic acid, methyl ester
• Benzonitrile, 2-(4-methylphenyl)- + Ethyl Acetate
• Benzonitrile, 2-(4-methylphenyl)- + n-Propyl acetate
• Benzonitrile, 2-(4-methylphenyl)- + Acetic acid, butyl ester
• Benzonitrile, 2-(4-methylphenyl)- + Acetone
• Acetonitrile + Benzonitrile, 2-(4-methylphenyl)-

Sources

• Crippen Method
• Crippen Method
• Solid-liquid phase equilibrium and mixing properties of 2-Cyano-4'-methylbiphenyl in pure solvents
• Joback Method
• McGowan Method
• NIST Webbook

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