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Substance Name: 1-Chlorooctane
RN: 111-85-3
UNII: E1047328LO
InChIKey: CNDHHGUSRIZDSL-UHFFFAOYSA-N

Molecular Formula

  • C8-H17-Cl

Molecular Weight

  • 148.675
 
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Names and Synonyms

Name of Substance

  • 1-Chlorooctane

Synonyms

  • 1-Chlorooctane
  • 1-Octyl chloride
  • Capryl chloride
  • EC 203-915-5
  • EINECS 203-915-5
  • HSDB 5551
  • n-Octyl chloride
  • NSC 5406
  • Octane, 1-chloro-
  • Octyl chloride
  • UNII-E1047328LO

Systematic Names

  • 1-Chlorooctane
  • Octane, 1-chloro-

Superlist Names

  • 1-Chlorooctane
  • Octane, 1-chloro-

Registry Numbers

CAS Registry Number

  • 111-85-3

FDA UNII

  • E1047328LO

System Generated Number

  • 0000111853

Structure Descriptors

InChI

1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey

CNDHHGUSRIZDSL-UHFFFAOYSA-N

Smiles

C(CCCC)CCCCl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.78E+01 deg C   EXP
Boiling Point 181.5 deg C   EXP
log P (octanol-water) 4.520 (none)   EST
Water Solubility 4.89 mg/L 25 EXP
Vapor Pressure 0.95 mm Hg 25 EXP
Henry's Law Constant 0.038 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.82E-12 cm3/molecule-sec 25 EST

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