Chemical Properties of 2(1H)-Pyridinone, 5-methyl- (CAS 1003-68-5)

InChI

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

InChI Key

SOHMZGMHXUQHGE-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Cc1ccc(=O)[nH]c1

Molecular Weight¹

109.13

CAS

1003-68-5

Other Names

• 2(1H)-Pyridone, 5-methyl-
• 5-Methyl-2-pyridinol
• 3-Methyl-6-hydroxypyridine
• 5-methyl-2(1H)-pyridinone
• 5-methyl-2-pyridone

• ω : Acentric Factor.
• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.4231		Relay (1.0) Calculated Property
ΔfG°	-12.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-103.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	0.02		Relay (1.0) Calculated Property
logPoct/wat	0.201		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	4867.77	kPa	Relay (1.0-beta) Calculated Property
Inp	1191.00		NIST
I	[2001.00; 2001.00]
I	2001.00		NIST
I	2001.00		NIST
Tboil	527.91	K	Relay (1.0) Calculated Property
Tc	707.47	K	Relay (1.0) Calculated Property
Tfus	367.31	K	Relay (1.0) Calculated Property
Vc	0.304	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2(1H)-Pyridinone, 5-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

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