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Substance Name: Heptane, 3-methyl-
RN: 589-81-1
InChIKey: LAIUFBWHERIJIH-UHFFFAOYSA-N

Molecular Formula

  • C8-H18

Molecular Weight

  • 114.23
 
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Names and Synonyms

Synonyms

  • 3-Methylheptane
  • EINECS 209-660-6
  • NSC 24845

Systematic Names

  • 3-Methylheptane
  • Heptane, 3-methyl-

Registry Numbers

CAS Registry Number

  • 589-81-1

Other Registry Number

  • 116502-43-3

System Generated Number

  • 0000589811

Structure Descriptors

InChI

1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

InChIKey

LAIUFBWHERIJIH-UHFFFAOYSA-N

Smiles

C([C@@H](CC)C)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+02 deg C   EXP
Boiling Point 118 deg C   EXP
log P (octanol-water) 4.200 (none)   EST
Water Solubility 0.792 mg/L 25 EXP
Vapor Pressure 19.6 mm Hg 25 EXP
Henry's Law Constant 3.720 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.56E-12 cm3/molecule-sec 25 EST

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