Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isooctane
RN: 26635-64-3
InChIKey: JVSWJIKNEAIKJW-UHFFFAOYSA-N

Molecular Formula

  • C8-H18

Molecular Weight

  • 114.23
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • EINECS 247-861-0
  • Isooctane

Systematic Name

  • Isooctane

Superlist Name

  • Isooctane

Registry Numbers

CAS Registry Number

  • 26635-64-3

Other Registry Numbers

  • 11070-05-6
  • 1281-99-8

System Generated Number

  • 0026635643

Structure Descriptors

InChI

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

InChIKey

JVSWJIKNEAIKJW-UHFFFAOYSA-N

Smiles

C(CCCC)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.05E+02 deg C   EXP
Boiling Point 99 deg C   EXP
log P (octanol-water) 4.200 (none)   EST
Water Solubility 7.970 mg/L 25 EST
Vapor Pressure 51.5 mm Hg 25 EXP
Henry's Law Constant 3.010 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.28E-12 cm3/molecule-sec 25 EST

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