Isocetane

Isocetane

Skeletal formula of icocetane
Names
IUPAC name 2,2,4,4,6,8,8-Heptamethylnonane [1]
Identifiers
CAS Number	4390-04-9  Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:131383  N
ChemSpider	19228  Y
ECHA InfoCard	100.022.280
EC Number	224-506-8
MeSH	2,2,4,4,6,8,8-heptamethylnonane
PubChem CID	20414
UNII	8LP0677305  Y
CompTox Dashboard (EPA)	DTXSID7052101
InChI InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3 Y Key: VCLJODPNBNEBKW-UHFFFAOYSA-N Y
SMILES C(C)(C)CC(C)CC(C)(C)CC(C)(C)C
Properties
Chemical formula	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)
Refractive index (nD)	1.439
Thermochemistry
Heat capacity (C)	458.80 J K−1 mol−1
Hazards
Flash point	96.00 °C (204.80 °F; 369.15 K)
Related compounds
Related alkanes	2,3-Dimethylhexane 2,5-Dimethylhexane Pristane
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N  verify  (what is  YN ?) Infobox references

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.