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Substance Name: 1-Heptyne
RN: 628-71-7
UNII: Z3NF9SSH6K
InChIKey: YVXHZKKCZYLQOP-UHFFFAOYSA-N

Molecular Formula

  • C7-H12

Molecular Weight

  • 96.1718
 
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Names and Synonyms

Name of Substance

  • 1-Heptyne

Synonyms

  • 1-Heptyne
  • Amylacetylene
  • EINECS 211-051-5
  • NSC 9710
  • UNII-Z3NF9SSH6K

Systematic Name

  • 1-Heptyne

Registry Numbers

CAS Registry Number

  • 628-71-7

FDA UNII

  • Z3NF9SSH6K

System Generated Number

  • 0000628717

Structure Descriptors

InChI

1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3

InChIKey

YVXHZKKCZYLQOP-UHFFFAOYSA-N

Smiles

C(CCC)CC#C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.10E+01 deg C   EXP
Boiling Point 99.7 deg C   EXP
log P (octanol-water) 3.010 (none)   EST
Water Solubility 94 mg/L 25 EXP
Vapor Pressure 52.5 mm Hg 25 EXP
Henry's Law Constant 0.071 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-11 cm3/molecule-sec 25 EST

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