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Substance Name: 4-Methyloctane
RN: 2216-34-4
InChIKey: DOGIHOCMZJUJNR-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Synonyms

  • 4-Methyloctane
  • EINECS 218-687-2
  • Isononane
  • NSC 23691

Systematic Names

  • 4-Methyloctane
  • Octane, 4-methyl- (8CI)(9CI)

Superlist Names

  • 4-Methyloctane
  • Octane, 4-methyl-

Registry Numbers

CAS Registry Number

  • 2216-34-4

System Generated Number

  • 0002216344

Structure Descriptors

InChI

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

InChIKey

DOGIHOCMZJUJNR-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.13E+02 deg C   EXP
Boiling Point 142.4 deg C   EXP
log P (octanol-water) 4.690 (none)   EST
Water Solubility 0.115 mg/L 25 EXP
Vapor Pressure 6.83 mm Hg 25 EXP
Henry's Law Constant 10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.72E-12 cm3/molecule-sec 25 EXP

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