Chemical Properties of 2(1H)-Pyridone, 6-methyl- (CAS 3279-76-3)

InChI

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

InChI Key

JEAVIRYCMBDJIU-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Cc1cccc(=O)[nH]1

Molecular Weight¹

109.13

CAS

3279-76-3

Other Names

• 6-Methyl-2-pyridinol
• 2(1H)-Pyridinone, 6-methyl-
• 2-Methyl-6-pyridone
• 6-Methyl-2-hydroxypyridine
• 6-Methyl-2-pyridinone
• 6-Methyl-2-pyridone
• 2-Hydroxy-6-methylpyridine
• 6-Methyl-2-pyridyl alcohol
• 6-Methyl-2(1H)-pyridone
• 2-Methyl-6-hydroxypyridine
• 6-Methyl-2(1H)-pyridinone
• 6-methylpyridin-2-ol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4264		Relay (1.0) Calculated Property
ΔcH°solid	-3149.20 ± 1.90	kJ/mol	NIST
ΔfH°gas	-120.30 ± 2.50	kJ/mol	NIST
ΔfH°solid	-212.30 ± 2.10	kJ/mol	NIST
ΔsubH°	[92.00; 92.00]	kJ/mol
ΔsubH°	92.00 ± 1.30	kJ/mol	NIST
ΔsubH°	92.00 ± 1.30	kJ/mol	NIST
ΔvapH°	83.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.19 ± 0.03	eV	NIST
logPoct/wat	0.201		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	5038.06	kPa	Relay (1.0-beta) Calculated Property
Tboil	522.60	K	Relay (1.0) Calculated Property
Tc	716.07	K	Relay (1.0) Calculated Property
Tfus	333.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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 2(1H)-Pyridone, 6-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
• Crippen 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.
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