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Substance Name: 1,3-Butadiyne
RN: 460-12-8
UNII: 6389J044O5
InChIKey: LLCSWKVOHICRDD-UHFFFAOYSA-N

Molecular Formula

  • C4-H2

Molecular Weight

  • 50.0598
 
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Names and Synonyms

Name of Substance

  • 1,3-Butadiyne

Synonyms

  • EINECS 207-303-9
  • UNII-6389J044O5

Systematic Name

  • 1,3-Butadiyne

Registry Numbers

CAS Registry Number

  • 460-12-8

FDA UNII

  • 6389J044O5

System Generated Number

  • 0000460128

Structure Descriptors

InChI

1S/C4H2/c1-3-4-2/h1-2H

InChIKey

LLCSWKVOHICRDD-UHFFFAOYSA-N

Smiles

C(#C)C#C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.64E+01 deg C   EXP
Boiling Point 10.3 deg C   EXP
log P (octanol-water) 1.300 (none)   EST
Water Solubility 9450 mg/L 25 EXP
Henry's Law Constant 0.019 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.89E-11 cm3/molecule-sec 25 EXP

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