Chemical Properties of 2(1H)-PYRIDINONE, 1-METHYL-

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

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_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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (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
ΔfH°gas	-73.88	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.30	kJ/mol	Relay (1.0) Calculated Property
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. Solubility Prediction
logPoct/wat	0.385		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Tboil	501.63	K	Relay (1.0) Calculated Property
Tfus	303.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2(1H)-PYRIDINONE, 1-METHYL-.

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
• Aqueous Solubility Prediction Method
• 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.