Chemical Properties of Benzenepropanenitrile, «alpha»,3-dichloro-2-methyl- (CAS 21342-85-8)

InChI

InChI=1S/C10H9Cl2N/c1-7-8(5-9(11)6-13)3-2-4-10(7)12/h2-4,9H,5H2,1H3

InChI Key

YYJUXSGXHHPBTK-UHFFFAOYSA-N

Formula

C10H9Cl2N

SMILES

Cc1c(Cl)cccc1CC(Cl)C#N

Molecular Weight¹

214.09

CAS

21342-85-8

Other Names

• CCTP
• FMC 28979
• Hydrocinnamonitrile, «alpha»,3-Dichloro-2-methyl-
• Orthonil
• PRB 8
• PRB 200
• 2-Chloro-3-(3-chloro-o-tolyl)-propionitrile
• Bi-Act
• Propionitrile, 2-chloro-3-(3-chloro-o-tolyl)-
• NSC 239071
• 2-(2-Chloro-2-cyanoethyl)-6-chlorotolyl
• 2-chloro-3-(m-chloro-o-tolyl)propionitrile

• 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	[333.07; 385.67]	J/mol×K	[641.34; 878.81]
Cp,gas	333.07	J/mol×K	641.34	Joback Calculated Property
Cp,gas	343.57	J/mol×K	680.92	Joback Calculated Property
Cp,gas	353.34	J/mol×K	720.50	Joback Calculated Property
Cp,gas	362.39	J/mol×K	760.08	Joback Calculated Property
Cp,gas	370.78	J/mol×K	799.65	Joback Calculated Property
Cp,gas	378.53	J/mol×K	839.23	Joback Calculated Property
Cp,gas	385.67	J/mol×K	878.81	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzenepropanenitrile, «alpha»,3-dichloro-2-methyl-.

Sources

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

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