Chemical Properties of 2-(p-Chlorophenyl)-3-methylbutyronitrile (CAS 2012-81-9)

InChI

InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3

InChI Key

RBGSZIRWNWQDOK-UHFFFAOYSA-N

Formula

C11H12ClN

SMILES

CC(C)C(C#N)c1ccc(Cl)cc1

Molecular Weight¹

193.67

CAS

2012-81-9

Other Names

• Benzeneacetonitrile, 4-chloro-«alpha»-(1-methylethyl)-
• 2-(4-chlorophenyl)-3-methylbutyronitrile

• 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_boilr : Boiling point at reduced pressure (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	[359.45; 423.85]	J/mol×K	[621.37; 854.93]
Cp,gas	359.45	J/mol×K	621.37	Joback Calculated Property
Cp,gas	372.26	J/mol×K	660.30	Joback Calculated Property
Cp,gas	384.18	J/mol×K	699.22	Joback Calculated Property
Cp,gas	395.26	J/mol×K	738.15	Joback Calculated Property
Cp,gas	405.53	J/mol×K	777.08	Joback Calculated Property
Cp,gas	415.05	J/mol×K	816.01	Joback Calculated Property
Cp,gas	423.85	J/mol×K	854.93	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-(p-Chlorophenyl)-3-methylbutyronitrile.

Sources

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

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