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111-65-9

111-65-9 structural image
Product Name: N-OCTANE
Formula: C8H18
Synonyms: n-Octane;n-Octane
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description N-octane is a colorless liquid with an odor of gasoline. Less dense than water and insoluble in water. Hence floats on water. Produces irritating vapor.
Color/Form Colorless liquid
Odor Gasoline-like
Boiling Point 258.1 °F at 760 mmHg (USCG, 1999)
Melting Point -70.2 °F (USCG, 1999)
Flash Point 56 °F (USCG, 1999)
Solubility 7e-05 % at 77 °F (NIOSH, 2023)
Density 0.703 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 3.86 (Air= 1)
Vapor Pressure 10 mmHg (NIOSH, 2023)
LogP log Kow = 5.18
Autoignition Temperature 428 °F (USCG, 1999)
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Viscosity 0.5151 cP at 25 °C
Corrosivity Will attack some forms of plastics, rubber, and coatings.
Heat of Combustion 1,302.7 kg cal/g mol wt at 760 mm Hg and 20 °C
Heat of Vaporization 41.49 kJ/mol at 25 °C
Surface Tension 21.14 mN/m at 25 °C
Ionization Potential 9.82 eV
Odor Threshold Odor Threshold Low: 15.0 [mmHg] Odor Threshold High: 235.0 [mmHg] Detection odor threshold from AIHA (mean = 150 ppm)
Refractive Index Index of refraction: 1.3944 at 25 °C/D
Kovats Retention Index 800
Other Experimental Properties Conversion factor: 1 ppm = 4.67 mg/cu m
Chemical Classes Solvents -> Aliphatics, Saturated (<C12)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H225:Flammable liquids
H304:Aspiration hazard
H315:Skin corrosion/irritation
H336:Specific target organ toxicity,single exposure; Narcotic effects
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P273:Avoid release to the environment.
P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 114.23 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 5
Exact Mass 114.140850574 g/mol
Monoisotopic Mass 114.140850574 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 25
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

N-octane is a colorless liquid with an odor of gasoline. Less dense than water and insoluble in water. Hence floats on water. Produces irritating vapor.

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