Chemical Properties of 2(1H)-Pyridinone, 1-methyl- (CAS 694-85-9)

InChI

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

InChI Key

DVVGIUUJYPYENY-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Cn1ccccc1=O

Molecular Weight¹

109.13

CAS

694-85-9

Other Names

• 1-Methyl-1,2-dihydro-2-pyridinone
• 1-Methyl-1H-pyridin-2-one
• 1-Methyl-2(1H)-pyridinone
• 1-Methyl-2(1H)-pyridone
• 1-Methyl-2-oxopyridine
• 1-Methyl-2-pyridinone
• 1-Methyl-2-pyridone
• 1-methylpyridine-2-one
• 2(1H)-Pyridone, 1-methyl-
• N-Methyl-2-pyridone
• N-Methylpyridone
• NSC 9383

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	925.80	kJ/mol	NIST
BasG	894.80	kJ/mol	NIST
IE	[8.20; 8.58]	eV
IE	8.41	eV	NIST
IE	8.20	eV	NIST
IE	8.58 ± 0.02	eV	NIST
IE	8.41 ± 0.03	eV	NIST
log10WS	0.96		Aq. Sol...
logPoct/wat	0.385		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2(1H)-Pyridinone, 1-methyl-.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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