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Substance Name: Phenylheptatriyne
RN: 4300-27-0
InChIKey: ACKWHAMNCLDPRO-UHFFFAOYSA-N

Molecular Formula

  • C13-H8

Molecular Weight

  • 164.206
 
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Names and Synonyms

Name of Substance

  • Phenylheptatriyne

Synonyms

  • 1,3,5-Heptatriynyl-benzene
  • 1-Phenyl-1,3,5-heptatriyne
  • Phenylheptatriyne

Systematic Name

  • Benzene, 1,3,5-heptatriynyl-

Registry Numbers

CAS Registry Number

  • 4300-27-0

System Generated Number

  • 0004300270

Structure Descriptors

InChI

1S/C13H8/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,1H3

InChIKey

ACKWHAMNCLDPRO-UHFFFAOYSA-N

Smiles

c1ccccc1C#CC#CC#CC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.91 (none)   EXP
Water Solubility 4.200 mg/L 25 EST
Vapor Pressure 7.91E-04 mm Hg 25 EST
Henry's Law Constant 5.00E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-10 cm3/molecule-sec 25 EST

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