Chemical Properties of Pyridine, 3-methyl-, 1-oxide (CAS 1003-73-2)

InChI

InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChI Key

DMGGLIWGZFZLIY-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Cc1ccc[n+]([O-])c1

Molecular Weight¹

109.13

CAS

1003-73-2

Other Names

• 3-Methylpyridine 1-oxide
• 3-Methylpyridine N-oxide
• 3-Picoline, 1-oxide
• 3-picoline N-oxide
• «beta»-Picoline 1-oxide
• «beta»-Picoline N-oxide

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 Pyridine, 3-methyl-, 1-oxide.

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
• Thermal behaviour of nitrogen oxides relevant to oxidative denitrogenation
• McGowan Method
• NIST Webbook

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