Chemical Properties of 3-Pyridinol, 6-methyl- (CAS 1121-78-4)

InChI

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

InChI Key

DHLUJPLHLZJUBW-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Cc1ccc(O)cn1

Molecular Weight¹

109.13

CAS

1121-78-4

Other Names

• 2-Methyl-5-hydroxypyridine
• 3-Hydroxy-6-methylpyridine
• 5-Hydroxy-2-methylpyridine
• 6-Methyl-3-hydroxypyridine
• 6-Methyl-3-pyridinol
• 6-methylpyridin-3-ol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5041		Relay (1.0) Calculated Property
ΔcH°solid	-3195.50 ± 1.30	kJ/mol	NIST
ΔfH°gas	-69.80 ± 2.60	kJ/mol	NIST
ΔfH°solid	-166.00 ± 1.50	kJ/mol	NIST
ΔsubH°	[96.20; 96.20]	kJ/mol
ΔsubH°	96.20 ± 2.10	kJ/mol	NIST
ΔsubH°	96.20 ± 2.10	kJ/mol	NIST
ΔvapH°	64.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.15 ± 0.05	eV	NIST
log10WS	0.39		Relay (1.0) Calculated Property
logPoct/wat	1.096		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	6050.43	kPa	Relay (1.0-beta) Calculated Property
I	2430.00		NIST
Tboil	503.32	K	Relay (1.0) Calculated Property
Tc	721.17	K	Relay (1.0) Calculated Property
Tfus	372.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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-Pyridinol, 6-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

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.
These property values are available through the Cheméo API. A free account gives you an access key.