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Substance Name: 1-Pentyne
RN: 627-19-0
InChIKey: IBXNCJKFFQIKKY-UHFFFAOYSA-N

Molecular Formula

  • C5-H8

Molecular Weight

  • 68.1182
 
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Names and Synonyms

Synonyms

  • 1-Pentyne
  • AI3-37709
  • EINECS 210-987-1

Systematic Name

  • 1-Pentyne

Superlist Name

  • 1-Pentyne

Registry Numbers

CAS Registry Number

  • 627-19-0

System Generated Number

  • 0000627190

Structure Descriptors

InChI

1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

InChIKey

IBXNCJKFFQIKKY-UHFFFAOYSA-N

Smiles

C(CC)C#C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.00E+01 deg C   EXP
Boiling Point 40.1 deg C   EXP
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 1570 mg/L 25 EXP
Vapor Pressure 436 mm Hg 25 EXP
Henry's Law Constant 0.025 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-11 cm3/molecule-sec 25 EXP

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