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Substance Name: 2-Methyloctane
RN: 3221-61-2
UNII: AV5KXW7I9L
InChIKey: ZUBZATZOEPUUQF-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Name of Substance

  • 2-Methyloctane

Synonyms

  • 2-Methyloctane
  • EINECS 221-748-6
  • Isononane
  • NSC 23695
  • UNII-AV5KXW7I9L

Systematic Names

  • 2-Methyloctane
  • Octane, 2-methyl-
  • Octane, 2-methyl- (8CI)(9CI)

Superlist Names

  • 2-Methyloctane
  • Octane, 2-methyl-

Registry Numbers

CAS Registry Number

  • 3221-61-2

FDA UNII

  • AV5KXW7I9L

System Generated Number

  • 0003221612

Structure Descriptors

InChI

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

InChIKey

ZUBZATZOEPUUQF-UHFFFAOYSA-N

Smiles

C(CC(C)C)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.03E+01 deg C   EXP
Boiling Point 143.2 deg C   EXP
log P (octanol-water) 4.690 (none)   EST
Vapor Pressure 6.21 mm Hg 25 EXP
Henry's Law Constant 5.730 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-11 cm3/molecule-sec 25 EXP

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