Chemical Properties of Nicotinyl alcohol (CAS 100-55-0)

InChI

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

InChI Key

MVQVNTPHUGQQHK-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

OCc1cccnc1

Molecular Weight¹

109.13

CAS

100-55-0

Other Names

• .beta.-picolyl alcohol
• 3-(Hydroxymethyl)pyridine
• 3-Pyridinemethanol
• 3-Pyridinylmethanol
• 3-Pyridylcarbinol
• 3-Pyridylmethanol
• 3-hydroxymethylpyridine
• NSC 526046
• Nicotinic alcohol
• Niltuvin (free base)
• Nu-2121
• Pyridine-3-carbinol
• Pyridine-3-methanol
• Pyridyl-3-carbinol
• Pyridyl-3-methanol
• RO-1-5155
• Roniacol
• pyridine, 3-hydroxymethyl-
• «beta»-Picolyl alcohol
• «beta»-Pyridinecarbinol
• «beta»-Pyridylcarbinol
• «beta»-Picolyl alcohol
• «beta»-Pyridinecarbinol
• «beta»-Pyridylcarbinol

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	0.96		Aq. Sol...
logPoct/wat	0.574		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Inp	[1092.00; 1119.00]
Inp	1092.00		NIST
Inp	1100.00		NIST
Inp	1100.00		NIST
Inp	1119.00		NIST
Inp	1100.00		NIST
Tfus	266.40	K	Aq. Sol...

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ρl	[1119.30; 1138.20]	kg/m3	[291.15; 318.15]
T(K) Liquid Density (kg/m3) 1120 1125 1130 1135 1140 300 310
ρl	1138.20	kg/m3	291.15	A compa...
ρl	1137.50	kg/m3	292.15	A compa...
ρl	1136.80	kg/m3	293.15	A compa...
ρl	1135.30	kg/m3	295.15	A compa...
ρl	1134.10	kg/m3	297.15	A compa...
ρl	1133.50	kg/m3	298.15	A compa...
ρl	1132.60	kg/m3	299.15	A compa...
ρl	1131.80	kg/m3	300.15	A compa...
ρl	1130.40	kg/m3	302.15	A compa...
ρl	1129.60	kg/m3	303.15	A compa...
ρl	1128.90	kg/m3	304.15	A compa...
ρl	1127.50	kg/m3	306.15	A compa...
ρl	1125.90	kg/m3	308.15	A compa...
ρl	1124.70	kg/m3	310.15	A compa...
ρl	1123.50	kg/m3	312.15	A compa...
ρl	1122.60	kg/m3	313.15	A compa...
ρl	1121.20	kg/m3	315.15	A compa...
ρl	1120.00	kg/m3	317.15	A compa...
ρl	1119.30	kg/m3	318.15	A compa...

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Nicotinyl alcohol.

Mixtures

• Nicotinyl alcohol + Water

Sources

• Crippen Method
• A comparative study of the volumetric properties of aqueous solutions of pyridine and piperidine derivatives
• Aqueous Solubility Prediction 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.