Chemical Properties of 1,5-Dimethyl-2-pyrrolecarbonitrile (CAS 56341-36-7)

InChI

InChI=1S/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3

InChI Key

DRXOPQFEWDRGKT-UHFFFAOYSA-N

Formula

C7H8N2

SMILES

Cc1ccc(C#N)n1C

Molecular Weight¹

120.15

CAS

56341-36-7

Other Names

• 1,5-dimethylpyrrole-2-carbonitrile
• 1H-Pyrrol-2-carbonitrile, 1,5-dimethyl
• 1H-Pyrrole-2-carbonitrile, 1,5-dimethyl-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I : Polar retention indices.
• 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

Similar Compounds

Find more compounds similar to 1,5-Dimethyl-2-pyrrolecarbonitrile.

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
• Molecular energetics of pyrrolecarbonitriles and derivatives: A combined calorimetric and computational study
• McGowan Method
• NIST Webbook

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