Chemical Properties of 3-hydroxy-2-pyranone (CAS 496-64-0)

InChI

InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H

InChI Key

LIPRKYKMVQPYPG-UHFFFAOYSA-N

Formula

C5H4O3

SMILES

O=c1occcc1O

Molecular Weight¹

112.08

CAS

496-64-0

Other Names

• 3-hydroxy-2H-pyran-2-one
• 3-Hydroxy-2-pyrone

• 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	0.5266		Relay (1.0) Calculated Property
ΔfG°	-302.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-393.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-0.07		Relay (1.0) Calculated Property
logPoct/wat	0.345		Crippen Calculated Property
McVol	75.160	ml/mol	McGowan Calculated Property
Pc	6292.32	kPa	Relay (1.0-beta) Calculated Property
Inp	[959.00; 989.00]
Inp	959.00		NIST
Inp	959.00		NIST
Inp	989.00		NIST
Inp	959.00		NIST
Inp	959.00		NIST
Inp	989.00		NIST
I	[1965.00; 1997.00]
I	1997.00		NIST
I	1997.00		NIST
I	1967.00		NIST
I	1965.00		NIST
I	1997.00		NIST
I	1965.00		NIST
Tboil	506.49	K	Relay (1.0) Calculated Property
Tc	708.55	K	Relay (1.0) Calculated Property
Tfus	331.54	K	Relay (1.0) Calculated Property
Vc	0.262	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-hydroxy-2-pyranone.

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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