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Substance Name: Octane, 1-fluoro-
RN: 463-11-6
InChIKey: DHIVLKMGKIZOHF-UHFFFAOYSA-N

Molecular Formula

  • C8-H17-F

Molecular Weight

  • 132.22
 
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Names and Synonyms

Synonyms

  • 1-Fluorooctane
  • 1-Octyl fluoride
  • 4-01-00-00418 (Beilstein Handbook Reference)
  • BRN 1697462
  • EINECS 207-333-2
  • n-Octyl fluoride
  • NSC 62037
  • Octyl fluoride

Systematic Names

  • 1-Fluorooctane
  • Octane, 1-fluoro-

Registry Numbers

CAS Registry Number

  • 463-11-6

System Generated Number

  • 0000463116

Structure Descriptors

InChI

1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey

DHIVLKMGKIZOHF-UHFFFAOYSA-N

Smiles

C(CCCC)CCCF

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2700ug/kg (2.7mg/kg)   Journal of the American Chemical Society. Vol. 79, Pg. 2311, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 142.4 deg C   EXP
log P (octanol-water) 4.210 (none)   EST
Water Solubility 22.8 mg/L 25 EST
Vapor Pressure 5.92 mm Hg 25 EXP
Henry's Law Constant 0.119 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.78E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.