2-Methylpentane

2-Methylpentane
Skeletal formula of 2-methylpentane
Skeletal formula of 2-methylpentane
Names
Preferred IUPAC name
2-Methylpentane[2]
Other names
Isohexane[1]
Identifiers
3D model (JSmol)
1730735
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.003.204 Edit this at Wikidata
EC Number
  • 203-523-4
MeSH 2-methylpentane
RTECS number
  • SA2985000
UNII
UN number 1208
  • InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3 checkY
    Key: AFABGHUZZDYHJO-UHFFFAOYSA-N checkY
  • CCCC(C)C
Properties
C6H14
Molar mass 86.178 g·mol−1
Appearance Colorless liquid
Odor Odorless
Density 653 mg mL−1
Melting point −160 to −146 °C; −256 to −231 °F; 113 to 127 K
Boiling point 60 to 62 °C; 140 to 143 °F; 333 to 335 K
log P 3.608
Vapor pressure 46.7 kPa (at 37.7 °C)
5.7 nmol Pa−1 kg−1
-75.26·10−6 cm3/mol
1.371
Thermochemistry
194.19 J K−1 mol−1
290.58 J K−1 mol−1
−205.3–−203.3 kJ mol−1
Hazards
GHS labelling:
GHS02: Flammable GHS07: Exclamation mark GHS08: Health hazard GHS09: Environmental hazard
Danger
H225, H304, H315, H336, H411
P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2
3
0
Flash point −7 °C (19 °F; 266 K)
306 °C (583 °F; 579 K)
Explosive limits 1.2–7%
NIOSH (US health exposure limits):
PEL (Permissible)
 none[3]
Related compounds
Related alkanes
Related compounds
 2-Ethyl-1-butanol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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2-Methylpentane, trivially known as isohexane, is a branched-chain alkane with the molecular formula C6H14. It is a structural isomer of hexane composed of a methyl group bonded to the second carbon atom in a pentane chain. Using a quantitative structure-activity relationship (QSAR) prediction model, 2-Methylpentane has a research octane number (RON) of 75, motor octane number (MON) of 77, and cetane number (CN) of 29.[4]

  1. ^ Haynes, William M. (2010). Handbook of Chemistry and Physics (91 ed.). Boca Raton, Florida, USA: CRC Press. p. 3-364. ISBN 978-1-43982077-3.
  2. ^ "2-methylpentane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 5 March 2012.
  3. ^ NIOSH Pocket Guide to Chemical Hazards. "#0323". National Institute for Occupational Safety and Health (NIOSH).
  4. ^ Phuong T. M. Do; Steven Crossley; Malee Santikunaporn; Daniel E. Resasco (2007). "Catalytic strategies for improving specific fuel properties". The Royal Society of Chemistry: 38. CiteSeerX 10.1.1.1074.651.