Chemical Properties of 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl- (CAS 65-23-6)

InChI

InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3

InChI Key

LXNHXLLTXMVWPM-UHFFFAOYSA-N

Formula

C8H11NO3

SMILES

Cc1ncc(CO)c(CO)c1O

Molecular Weight¹

169.18

CAS

65-23-6

Other Names

• 2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine
• 2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine
• 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin
• 2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine
• 2-Picoline-4,5-dimethanol, 3-hydroxy-
• 3-Hydroxy-4,5-dimethylol-«alpha»-picoline
• 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
• 5-hydroxy-6-methyl-3,4-pyridinedimethanol
• Adermin
• Adermine
• Bezatin
• Gravidox
• Hydoxin
• Pirivitol
• Pridoxine
• Pyridoxin
• Pyridoxine
• Pyridoxinum
• Pyridoxol

• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.15	kJ/mol	Antisolvent Precipitation of Vitamin B6: A Thermodynamic Study
logPoct/wat	0.080		Crippen Calculated Property
McVol	127.410	ml/mol	McGowan Calculated Property
S°solid,1 bar	[271.77; 278.59]	J/mol×K
S°solid,1 bar	271.77	J/mol×K	NIST
S°solid,1 bar	278.59	J/mol×K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[237.40; 244.46]	J/mol×K	[298.15; 300.00]
Cp,solid	244.46	J/mol×K	298.15	NIST
Cp,solid	237.40	J/mol×K	300.00	NIST

Similar Compounds

Find more compounds similar to 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-.

Mixtures

• 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl- + Tetrahydrofuran
• 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl- + Acetone
• 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl- + Ethanol
• 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl- + Methyl Alcohol

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
• Antisolvent Precipitation of Vitamin B6: A Thermodynamic Study
• 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.