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Substance Name: Octadecane, 1-bromo-
RN: 112-89-0
InChIKey: WSULSMOGMLRGKU-UHFFFAOYSA-N

Molecular Formula

  • C18-H37-Br

Molecular Weight

  • 333.394
 
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Names and Synonyms

Synonyms

  • 1-Bromooctadecane
  • AI3-00994
  • EINECS 204-013-4
  • n-Octadecyl bromide
  • NSC 5542
  • Octadecyl bromide
  • Stearyl bromide

Systematic Names

  • 1-Bromooctadecane
  • Octadecane, 1-bromo-

Registry Numbers

CAS Registry Number

  • 112-89-0

Other Registry Number

  • 1027627-82-2

System Generated Number

  • 0000112890

Structure Descriptors

InChI

1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

InChIKey

WSULSMOGMLRGKU-UHFFFAOYSA-N

Smiles

C(CCCCCCCCC)CCCCCCCCBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 28.2 deg C   EXP
log P (octanol-water) 9.520 (none)   EST
Water Solubility 5.72E-05 mg/L 25 EST
Vapor Pressure 5.94E-06 mm Hg 25 EXP
Henry's Law Constant 1.050 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.19E-11 cm3/molecule-sec 25 EST

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