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Substance Name: 1-Octyne
RN: 629-05-0
InChIKey: UMIPWJGWASORKV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H14

Molecular Weight

  • 110.199
 
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Names and Synonyms

Name of Substance

  • 1-Octyne

Synonyms

  • 1-Octyne
  • 4-01-00-01034 (Beilstein Handbook Reference)
  • BRN 1734494
  • EC 211-069-3
  • EINECS 211-069-3
  • Hexylacetylene

Systematic Names

  • 1-Octyne
  • Oct-1-yne

Registry Numbers

CAS Registry Number

  • 629-05-0

System Generated Number

  • 0000629050

Structure Descriptors

InChI

1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3

InChIKey

UMIPWJGWASORKV-UHFFFAOYSA-N

Smiles

C(CCC#C)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.93E+01 deg C   EXP
Boiling Point 126.3 deg C   EXP
log P (octanol-water) 3.500 (none)   EST
Water Solubility 24 mg/L 25 EXP
Vapor Pressure 13.6 mm Hg 25 EXP
Henry's Law Constant 0.082 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.37E-11 cm3/molecule-sec 25 EST

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