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Isocetane

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Isocetane
Skeletal formula of icocetane
Names
IUPAC name 2,2,4,4,6,8,8-Heptamethylnonane
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.022.280 Edit this at Wikidata
EC Number
  • 224-506-8
MeSH 2,2,4,4,6,8,8-heptamethylnonane
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3Key: VCLJODPNBNEBKW-UHFFFAOYSA-N
SMILES
  • C(C)(C)CC(C)CC(C)(C)CC(C)(C)C
Properties
Chemical formula C16H34
Molar mass 226.448 g·mol
Appearance Colourless liquid
Odor Odourless
Density 793 mg mL
Boiling point 240.1 °C; 464.1 °F; 513.2 K
Vapor pressure 130 Pa (at 20 °C)
Refractive index (nD) 1.439
Thermochemistry
Heat capacity (C) 458.80 J K mol
Hazards
Flash point 96.00 °C (204.80 °F; 369.15 K)
Related compounds
Related alkanes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound

Isocetane (2,2,4,4,6,8,8-heptamethylnonane) is a highly branched alkane used as a reference in determining the cetane number of diesel. It has a cetane number of 15. Isocetane replaced 1-methylnaphthalene in 1962 as the lower reference for cetane number (1-methylnaphthalene has cetane number zero) owing to the oxidation instability and difficulty of use of 1-methylnaphthalene in the reference engine.

Strictly speaking, if the standard meaning of ‘iso’ is followed, the name isocetane should be reserved for the isomer 2-methylpentadecane. However, 2,2,4,4,6,8,8-heptamethylnonane is by far the most important isomer of cetane and so, historically, it has ended up with this name.

References

  1. "2,2,4,4,6,8,8-heptamethylnonane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Archived from the original on 30 October 2013. Retrieved 12 March 2012.
  2. Speight, James G. (2015). Handbook of Petroleum Product Analysis. Hoboken, NJ: Wiley. pp. 158–159. ISBN 978-1-322-95015-0. OCLC 903318141.
  3. "Cetane number". Archived from the original on 2014-03-12. Retrieved 2007-03-01.
  4. Jääskeläinen, Hannu (2007). Fuel Property Testing: Ignition Quality. DieselNet Technology Guide (Technical report). ECOpoint Inc. Archived from the original on 2019-06-26. Retrieved 2021-02-24.


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