Chemical Properties of 4-Hexamethyleneiminobutyronitrile (CAS 3194-43-2)

InChI

InChI=1S/C10H18N2/c11-7-3-6-10-12-8-4-1-2-5-9-12/h1-6,8-10H2

InChI Key

OQPSAQBHEQYYMJ-UHFFFAOYSA-N

Formula

C10H18N2

SMILES

N#CCCCN1CCCCCC1

Molecular Weight¹

166.26

CAS

3194-43-2

Other Names

• 1-(Hexahydro-1H-azepin-1-yl)butyronitrile
• 1H-Azepine-1-butanenitrile, hexahydro-
• 1H-Azepine-1-butyronitrile, hexahydro-
• 4-(n-Hexamethyleneimino)butyronitrile
• Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-
• hexahydro-1H-azepine-1-butyronitrile

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Similar Compounds

Find more compounds similar to 4-Hexamethyleneiminobutyronitrile.

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
• McGowan Method
• NIST Webbook

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