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 (1.0) Calculated Property
ΔfG°	36.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-64.74	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	0.80		Relay (1.0) Calculated Property
logPoct/wat	0.574		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	5025.37	kPa	Relay (1.0-beta) 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 (1.0) Calculated Property
Tc	751.24	K	Relay (1.0) Calculated Property
Tfus	308.91	K	Relay (1.0) Calculated Property
Vc	0.305	m3/kmol	Relay (1.0) 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 comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1133.10	kg/m3	292.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1132.40	kg/m3	293.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1130.70	kg/m3	295.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1129.30	kg/m3	297.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1128.70	kg/m3	298.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1127.70	kg/m3	299.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1127.10	kg/m3	300.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1125.60	kg/m3	302.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1124.80	kg/m3	303.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1124.00	kg/m3	304.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1122.40	kg/m3	306.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1120.80	kg/m3	308.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1119.40	kg/m3	310.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1118.10	kg/m3	312.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1117.20	kg/m3	313.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1115.60	kg/m3	315.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1114.20	kg/m3	317.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
ρl	1113.50	kg/m3	318.15	A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives

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

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