Isocetane

Isocetane
Skeletal formula of icocetane
Names
IUPAC name
2,2,4,4,6,8,8-Heptamethylnonane[1]
Identifiers
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
UNII
  • InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3 checkY
    Key: VCLJODPNBNEBKW-UHFFFAOYSA-N checkY
  • C(C)(C)CC(C)CC(C)(C)CC(C)(C)C
Properties
C16H34
Molar mass 226.448 g·mol−1
Appearance Colourless liquid
Odor Odourless
Density 793 mg mL−1
Boiling point 240.1 °C; 464.1 °F; 513.2 K
Vapor pressure 130 Pa (at 20 °C)
1.439
Thermochemistry
458.80 J K−1 mol−1
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 [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

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.[2] 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.[3][4]

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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