Chemical Properties of 3-hydroxy-6-methyl-2(2H)-pyranone

InChI

InChI=1S/C6H6O3/c1-4-2-3-5(7)6(8)9-4/h2-3,7H,1H3

InChI Key

MJIACMMODTYUHG-UHFFFAOYSA-N

Formula

C6H6O3

SMILES

Cc1ccc(O)c(=O)o1

Molecular Weight¹

126.11

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	72.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
logPoct/wat	0.654		Crippen Calculated Property
McVol	89.250	ml/mol	McGowan Calculated Property
Inp	[1047.00; 1047.00]
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
I	[2035.00; 2035.00]
I	2035.00		NIST
I	2035.00		NIST
I	2035.00		NIST
Tboil	508.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 3-hydroxy-6-methyl-2(2H)-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

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.