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N-OCTANE Structure

N-OCTANE

Chemical Properties

Melting point −57 °C(lit.)
Boiling point 125-127 °C(lit.)
Density  0.703 g/mL at 25 °C(lit.)
vapor density  3.9 (vs air)
vapor pressure  11 mm Hg ( 20 °C)
refractive index  n20/D 1.398(lit.)
Flash point 60 °F
storage temp.  Store below +30°C.
solubility  ethanol: soluble(lit.)
form  Liquid
pka >14 (Schwarzenbach et al., 1993)
color  Clear colorless
Odor Like gasoline.
Odor Threshold 1.7ppm
explosive limit 0.8-6.5%(V)
Water Solubility  0.0007 g/L (20 ºC)
Merck  14,6749
BRN  1696875
Henry's Law Constant 4.45 at 25 °C (J?nsson et al., 1982)
Exposure limits TLV-TWA 300 ppm (~1450 mg/m3) (ACGIH and NIOSH), 500 ppm (~2420 mg/m3) (OSHA); STEL 375 ppm (~1800 mg/m3).
Dielectric constant 1.1(-4℃)
Stability Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents.
InChIKey TVMXDCGIABBOFY-UHFFFAOYSA-N
LogP 5.15
CAS DataBase Reference 111-65-9(CAS DataBase Reference)
NIST Chemistry Reference Octane(111-65-9)
EPA Substance Registry System Octane (111-65-9)

Safety Information

Hazard Codes  F,Xn,N
Risk Statements  11-38-50/53-65-67
Safety Statements  9-16-29-33-60-61-62
RIDADR  UN 1262 3/PG 2
WGK Germany  1
RTECS  RG8400000
Autoignition Temperature 428 °F
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29011000
Hazardous Substances Data 111-65-9(Hazardous Substances Data)
Toxicity LDLo intravenous in mouse: 428mg/kg
IDLA 1,000 ppm [10% LEL]

MSDS

Usage And Synthesis

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