Chemical Properties of 2(1H)-Pyridinone (CAS 142-08-5)

InChI

InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

InChI Key

UBQKCCHYAOITMY-UHFFFAOYSA-N

Formula

C5H5NO

SMILES

O=c1cccc[nH]1

Molecular Weight¹

95.10

CAS

142-08-5

Other Names

• «alpha»-Pyridone
• 2-Hydroxypyridine
• 2(1H)-Pyridone
• 2-Oxopyridine
• 2-Pyridinol
• 2-Pyridinone
• 2-Pyridone
• 2-Pyridol
• Pyridone-2
• 1-Hydroxy-2-pyridine
• 1H-Pyridin-2-one

• 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_subH° : Enthalpy of sublimation 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.
• 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	0.3892		Relay (1.0) Calculated Property
ΔfG°	-11.90	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-57.95	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	86.60 ± 1.30	kJ/mol	NIST
ΔvapH°	88.47	kJ/mol	Relay (1.0) Calculated Property
IE	[8.45; 9.00]	eV
IE	8.45 ± 0.00	eV	NIST
IE	8.45 ± 0.00	eV	NIST
IE	9.00 ± 0.10	eV	NIST
IE	8.62 ± 0.03	eV	NIST
log10WS	0.40		Relay (1.0) Calculated Property
logPoct/wat	-0.107		Crippen Calculated Property
McVol	73.400	ml/mol	McGowan Calculated Property
Pc	5503.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[1094.00; 1095.00]
Inp	1094.00		NIST
Inp	1095.00		NIST
Inp	1094.00		NIST
Inp	1094.00		NIST
Inp	1094.00		NIST
Tboil	513.98	K	Relay (1.0) Calculated Property
Tc	705.48	K	Relay (1.0) Calculated Property
Tfus	319.72	K	Relay (1.0) Calculated Property
Vc	0.255	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

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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