Chemical Properties of Piconol (CAS 586-98-1)

InChI

InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2

InChI Key

SHNUBALDGXWUJI-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

OCc1ccccn1

Molecular Weight¹

109.13

CAS

586-98-1

Other Names

• .alpha.-picolyl alcohol
• 2-(hydroxymethyl)pyridine
• 2-Pyridinylmethanol
• 2-Pyridylmethanol
• 2-hydroxymethylpyridine
• 2-pyridinemethanol
• 2-pyridylcarbinol
• Pyridine-2-carbinol
• Pyridine-2-methanol
• pyridine, 2-hydroxymethyl-
• «alpha»-Picolyl alcohol

• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5826		Relay (... Calculated Property
ΔfG°	36.34	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-64.74	kJ/mol	Relay (... Calculated Property
ΔvapH°	71.66	kJ/mol	Relay (... Calculated Property
IE	9.30	eV	Relay (... Calculated Property
log10WS	0.80		Relay (... Calculated Property
logPoct/wat	0.574		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	4935.54	kPa	Relay (... Calculated Property ⚠️
Inp	1305.00		NIST
I	[2110.00; 2110.00]
I	2110.00		NIST
I	2110.00		NIST
I	2110.00		NIST
Tboil	497.16	K	Relay (... Calculated Property
Tc	751.46	K	Relay (... Calculated Property
Tfus	305.67	K	Relay (... Calculated Property
Vc	0.311	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ρl	[1113.50; 1133.60]	kg/m3	[291.15; 318.15]
ρl	1133.60	kg/m3	291.15	A compa...
ρl	1133.10	kg/m3	292.15	A compa...
ρl	1132.40	kg/m3	293.15	A compa...
ρl	1130.70	kg/m3	295.15	A compa...
ρl	1129.30	kg/m3	297.15	A compa...
ρl	1128.70	kg/m3	298.15	A compa...
ρl	1127.70	kg/m3	299.15	A compa...
ρl	1127.10	kg/m3	300.15	A compa...
ρl	1125.60	kg/m3	302.15	A compa...
ρl	1124.80	kg/m3	303.15	A compa...
ρl	1124.00	kg/m3	304.15	A compa...
ρl	1122.40	kg/m3	306.15	A compa...
ρl	1120.80	kg/m3	308.15	A compa...
ρl	1119.40	kg/m3	310.15	A compa...
ρl	1118.10	kg/m3	312.15	A compa...
ρl	1117.20	kg/m3	313.15	A compa...
ρl	1115.60	kg/m3	315.15	A compa...
ρl	1114.20	kg/m3	317.15	A compa...
ρl	1113.50	kg/m3	318.15	A compa...

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Piconol.

Mixtures

• Piconol + Water

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
• A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
• 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.