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]
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| Names | |||
|---|---|---|---|
| Preferred IUPAC name
2-Methylpentane[2] | |||
| Other names
Isohexane[1]
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| Identifiers | |||
3D model (JSmol)
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| 1730735 | |||
| ChEBI | |||
| ChEMBL | |||
| ChemSpider | |||
| ECHA InfoCard | 100.003.204 | ||
| EC Number |
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| MeSH | 2-methylpentane | ||
PubChem CID
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| RTECS number |
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| UNII | |||
| UN number | 1208 | ||
CompTox Dashboard (EPA)
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| 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) | ||
Henry's law
constant (kH) |
5.7 nmol Pa−1 kg−1 | ||
| -75.26·10−6 cm3/mol | |||
Refractive index (nD)
|
1.371 | ||
| Thermochemistry | |||
Heat capacity (C)
|
194.19 J K−1 mol−1 | ||
Std molar
entropy (S⦵298) |
290.58 J K−1 mol−1 | ||
Std enthalpy of
formation (ΔfH⦵298) |
−205.3–−203.3 kJ mol−1 | ||
| Hazards | |||
| GHS labelling: | |||
   
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| Danger | |||
| H225, H304, H315, H336, H411 | |||
| P210, P261, P273, P301+P310, P331 | |||
| NFPA 704 (fire diamond) | |||
| 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
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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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See also
editReferences
edit- ^ 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-methylpentane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 5 March 2012.
- ^ NIOSH Pocket Guide to Chemical Hazards. "#0323". National Institute for Occupational Safety and Health (NIOSH).
- ^ 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.
