Isocetane

Isocetane

Names
IUPAC name 2,2,4,4,6,8,8-Heptamethylnonane[1]
Identifiers
CAS Number	4390-04-9
3D model (Jmol)	Interactive image
ChEBI	CHEBI:131383
ChemSpider	19228
ECHA InfoCard	100.022.280
EC Number	224-506-8
MeSH	2,2,4,4,6,8,8-heptamethylnonane
PubChem	20414
UNII	918X1OUF1E
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 Key: VCLJODPNBNEBKW-UHFFFAOYSA-N
SMILES CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
Properties
Chemical formula	C16H34
Molar mass	226.45 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
Specific 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).
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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.^[2] It is given a cetane number of 15. Isocetane replaced 1-methylnaphthalene as the lower reference for cetane number (1-methylnaphthalene has cetane number zero) owing to the expense of 1-methylnaphthalene, and difficulty in safe handling.^[3]

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. Retrieved 12 March 2012.
2. New system offers faster, easier method for cetane measurement by Bill Siuru, Diesel Progress, North American Edition, March, 2002
3. Cetane number