3-Methylpentane

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3-Methylpentane
Skeletal formula of 3-methylpentane 3-methylpentane.svg
Skeletal formula of 3-methylpentane
Ball and stick model of 3-methylpentane 3-Methylpentane-3D-balls.png
Ball and stick model of 3-methylpentane
Spacefill model of 3-methylpentane 3-Methylpentane-3D-spacefill.png
Spacefill model of 3-methylpentane
Names
Preferred IUPAC name
3-Methylpentane [1]
Identifiers
3D model (JSmol)
1730734
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.002.257 OOjs UI icon edit-ltr-progressive.svg
EC Number
  • 202-481-4
MeSH 3-methylpentane
PubChem CID
RTECS number
  • SA2995500
UNII
UN number 1208
  • InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 Yes check.svgY
    Key: PFEOZHBOMNWTJB-UHFFFAOYSA-N Yes check.svgY
  • CCC(C)CC
Properties
C6H14
Molar mass 86.178 g·mol−1
AppearanceColorless liquid
Odor Odorless
Density 664 mg mL−1
Melting point −162.8 °C; −261.1 °F; 110.3 K
Boiling point 62.9 to 63.7 °C; 145.1 to 146.6 °F; 336.0 to 336.8 K
Insoluble
log P 3.608
Vapor pressure 18.0 kPa (at 17 °C)
8.8 mol Pa−1 kg−1
−75.52·10−6 cm3/mol
1.376
Thermochemistry
191.16 J K−1 mol−1
Std molar
entropy
(S298)
292.5 J K−1 mol−1
−203.0 – −201.0 kJ mol−1
−4.1608 – −4.1590 MJ mol−1
Hazards
GHS labelling:
GHS-pictogram-flamme.svg GHS-pictogram-exclam.svg GHS-pictogram-silhouette.svg GHS-pictogram-pollu.svg
Danger
H225, H304, H315, H336, H411
P210, P261, P273, P301+P310, P331
Flash point −7 °C (19 °F; 266 K)
278 °C (532 °F; 551 K)
Explosive limits 1.2–7.7%
NIOSH (US health exposure limits):
PEL (Permissible)
none [2]
Related compounds
Related alkanes
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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3-Methylpentane is a branched alkane with the molecular formula C6H14. It is a structural isomer of hexane composed of a methyl group bonded to the third carbon atom in a pentane chain. It is of similar structure to the isomeric 2-methylpentane, which has the methyl group located on the second carbon of the pentane chain.

As of early 1990s, it was present in American [3] and European [4] gasoline in small amounts, and by 2011 its share in US gas varied between 1.5 and 6% [5] It has close research and motor octane numbers of 74.5 and 74.3. [6]

References

  1. "3-methylpentane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 5 March 2012.
  2. NIOSH Pocket Guide to Chemical Hazards. "#0323". National Institute for Occupational Safety and Health (NIOSH).
  3. Doskey, Paul V.; Porter, Joseph A.; Scheff, Peter A. (November 1992). "Source Fingerprints for Volatile Non-Methane Hydrocarbons". Journal of the Air & Waste Management Association. 42 (11): 1437–1445. doi:10.1080/10473289.1992.10467090. ISSN   1047-3289.
  4. Östermark, Ulf; Petersson, Göran (1992-09-01). "Assessment of hydrocarbons in vapours of conventional and alkylate-based petrol" (PDF). Chemosphere. 25 (6): 763–768. doi:10.1016/0045-6535(92)90066-Z. ISSN   0045-6535.
  5. "Hydrocarbon Composition of Gasoline Vapor Emissions from Enclosed Fuel Tanks". nepis.epa.gov. United States Environmental Protection Agency. 2011.
  6. Abdul Jameel, Abdul Gani; Van Oudenhoven, Vincent; Emwas, Abdul-Hamid; Sarathy, S. Mani (2018-05-17). "Predicting Octane Number Using Nuclear Magnetic Resonance Spectroscopy and Artificial Neural Networks" . Energy & Fuels. 32 (5): 6309–6329. doi:10.1021/acs.energyfuels.8b00556. ISSN   0887-0624.