Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: Benzene, 5-heptene-1,3-diynyl-
RN: 13678-98-3
InChIKey: OQOPFMDMSRLRRH-NSCUHMNNSA-N

Molecular Formula

  • C13-H10

Molecular Weight

  • 166.222
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Phenylhepta-1,3-diyn-5-ene
  • 5-Heptene-1,3-diyne, 1-phenyl-
  • 5-Heptene-1,3-diynylbenzene

Systematic Name

  • Benzene, 5-heptene-1,3-diynyl-

Registry Numbers

CAS Registry Number

  • 13678-98-3

System Generated Number

  • 0013678983

Structure Descriptors

InChI

1S/C13H10/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,1H3/b3-2+

InChIKey

OQOPFMDMSRLRRH-NSCUHMNNSA-N

Smiles

c1ccccc1C#CC#C\C=C\C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.76 (none)   EXP
Water Solubility 5.520 mg/L 25 EST
Vapor Pressure 1.71E-03 mm Hg 25 EST
Henry's Law Constant 1.18E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.39E-10 cm3/molecule-sec 25 EST

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