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

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3987		Relay (1.0) Calculated Property
PAff	925.80	kJ/mol	NIST
BasG	894.80	kJ/mol	NIST
ΔfG°	43.30	kJ/mol	Relay (1.0-beta) Calculated Property
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
Pc	4893.67	kPa	Relay (1.0-beta) Calculated Property
Tboil	501.63	K	Relay (1.0) Calculated Property
Tc	684.59	K	Relay (1.0) Calculated Property
Tfus	303.84	K	Relay (1.0) Calculated Property
Vc	0.318	m3/kmol	Relay (1.0) Calculated Property

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

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