2-Methylpentane

2-Methylpentane
Skeletal formula of 2-methylpentane
Names
	Preferred IUPAC name 2-Methylpentane
	Other names Isohexane
Identifiers
CAS Number	107-83-5 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1730735
ChEBI	CHEBI:88374 ;
ChEMBL	ChEMBL30909 ;
ChemSpider	7604 ;
ECHA InfoCard	100.003.204
EC Number	203-523-4;
MeSH	2-methylpentane
PubChem CID	7892;
RTECS number	SA2985000;
UNII	49IB0U6MLD ;
UN number	1208
CompTox Dashboard (EPA)	DTXSID4029143 ;
	InChI InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3 Key: AFABGHUZZDYHJO-UHFFFAOYSA-N ;
	SMILES CCCC(C)C;
Properties
Chemical formula	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
Magnetic susceptibility (χ)	-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:
Pictograms
Signal word	Danger
Hazard statements	H225, H304, H315, H336, H411
Precautionary statements	P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)	2 3 0
Flash point	−7 °C (19 °F; 266 K)
Autoignition; temperature	306 °C (583 °F; 579 K)
Explosive limits	1.2–7%
	NIOSH (US health exposure limits):
PEL (Permissible)	none
Related compounds
Related alkanes	Isopentane; 3-Methylpentane; 3-Ethylpentane; 2-Methylhexane; 3-Methylhexane;
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). verify (what is ?) Infobox references

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]

References

^ 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.

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[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.

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2-Methylpentane

See also

References

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