Catalog Number
ACMA00016796
Description
Liquid;liquid;Liquid;COLOURLESS OILY LIQUID WITH CHARACTERISTIC ODOUR.;colourless, oily liquid
Molecular Weight
130.23g/mol
Molecular Formula
CH3(CH2)5CH(OH)CH3;C8H18O;C8H18O
Canonical SMILES
CCCCCCC(C)O
InChI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChI Key
SJWFXCIHNDVPSH-UHFFFAOYSA-N
Boiling Point
179.25 °C;179 °C;178.5 °C
Melting Point
3.5 °C;-15.5 °C;-31.6 °C;-38.6°C;-38.6 °C
Density
0.8193 g/cu cm at 20 °C;Relative density (water = 1): 0.82;0.817-0.820 (20?°)
Solubility
0.01 M;1.12 mg/mL at 25 °C;In water, 1120 mg/L at 25 C;Soluble in ethanol, ethyl ether, acetic acetone;MISCIBLE WITH AROMATIC AND ALIPHATIC HYDROCARBONS;SOL IN MOST COMMON ORGANIC SOLVENTS;1.2 mg/mL at 25 °C;Solubility in water, ml/100ml: 0.096 (none);soluble in most common organic solvents
Color/Form
Liquid;Colorless liquid
Covalently-Bonded Unit Count
1
EC Number
204-667-0;223-938-4
Exact Mass
130.135765g/mol
Heat of Vaporization
44.4 kJ/mol at 179.3 °C
Log P
2.9 (LogP);3.00;log Kow = 2.90;2.72
MeSH Entry Terms
2-octanol;2-octanol, (R)-isomer;2-octanol, (S)-isomer
Monoisotopic Mass
130.135765g/mol
Odor
Characteristically disagreeable, but aromatic
Other Experimental
Oily, refractive liquid; solubility: 0.096 mL/100 mL water; aromatic, yet somewhat unpleasant odor, particularly on heating; density 0.8193 at 20 °C/4 °C; bp: 178.5 °C at 760 mm Hg; index of refraction: 1.42025 at 20 °C/D /DL-form/;BP: 86 °C at 20 mm Hg; specific optical rotation: +9.9 deg at 17 °C/D; index of refraction: 0.8216 at 20 °C/4 °C /D-form/;BP: 86 °C at 20 mm Hg; specific optical rotation: -9.9 deg at 17 °C/D /L-form/;Soluble in alcohol, ether, acetone; max absorption (vapor): 196 nm; max absorption (hexane): 175 nm (log e = 2.5); mp: -31.6 °C /dl-Form/;Density: 0.8201 at 20 °C/4 °C; miscible with water; soluble in alcohol, ether, acetone; index of refraction: 1.4264 at 20 °C/D /L-Form/;Conversion factors: 1 ppm = 5.32 mg/cu m; 1 mg/L = 187.8 ppm;Miscible with water; soluble in alcohol, ether, acetone; index of refraction: 1.4264 at 20 deg dC/D /d-Form/;VP: 1 mm Hg at 32.8 °C;Henry's Law constant = 3.2276X10-5 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 1.56X10-11 cu cm/molec-sec at 25 °C (est)
Refractive Index
1.424-1.429
Stability
Chemical stability: Stable under recommended storage conditions.
Vapor Density
4.5 (Air = 1);Relative vapor density (air = 1): 4.5
Vapor Pressure
0.24 mmHg;2.42X10-1 mm Hg at 25 °C;Vapor pressure, Pa at 25 °C: 32
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