Chemical Properties of 5-(Hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol (CAS 1464-33-1)

InChI

InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3

InChI Key

SVINQHQHARVZFF-UHFFFAOYSA-N

Formula

C9H13NO3

SMILES

COCc1c(CO)cnc(C)c1O

Molecular Weight¹

183.20

CAS

1464-33-1

• 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.
• 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	0.7837		Relay (... Calculated Property
ΔfG°	-170.88	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-412.05	kJ/mol	Relay (... Calculated Property
ΔvapH°	102.15	kJ/mol	Relay (... Calculated Property
IE	8.66	eV	Relay (... Calculated Property
log10WS	-0.21		Relay (... Calculated Property
logPoct/wat	0.734		Crippen Calculated Property
McVol	141.500	ml/mol	McGowan Calculated Property
Pc	4111.05	kPa	Relay (... Calculated Property ⚠️
Inp	[1659.90; 1659.90]
Inp	1659.90		NIST
Inp	1659.90		NIST
Tboil	576.61	K	Relay (... Calculated Property
Tc	822.49	K	Relay (... Calculated Property
Tfus	382.34	K	Relay (... Calculated Property
Vc	0.498	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-(Hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol.

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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