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-

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	1.205		Crippen Calculated Property
McVol	101.390	ml/mol	McGowan Calculated Property
I	[1612.00; 1612.00]
I	1612.00		NIST
I	1612.00		NIST
Tboil	509.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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