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Substance Name: 3-Methyloctane
RN: 2216-33-3
InChIKey: SEEOMASXHIJCDV-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Synonyms

  • 3-Methyloctane
  • EINECS 218-686-7
  • Isononane
  • NSC 23689

Systematic Names

  • 3-Methyloctane
  • Octane, 3-methyl-
  • Octane, 3-methyl- (8CI)(9CI)

Superlist Names

  • 3-Methyloctane
  • Octane, 3-methyl-

Registry Numbers

CAS Registry Number

  • 2216-33-3

System Generated Number

  • 0002216333

Structure Descriptors

InChI

1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3

InChIKey

SEEOMASXHIJCDV-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.08E+02 deg C   EXP
Boiling Point 144.2 deg C   EXP
log P (octanol-water) 4.690 (none)   EST
Vapor Pressure 6.25 mm Hg 25 EXP
Henry's Law Constant 5.730 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.97E-12 cm3/molecule-sec 25 EST

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