Hexane

Not to be confused with Hexene.

Hexane is an organic compound with the chemical formula C
₆H
₁₄. It is an alkane with 6 carbon atoms. "Hexane" can mean any of the 5 structural isomers (meaning compounds with the same chemical formula but a different shape) it has. IUPAC naming says that "hexane" only means the isomer with no branches, with the other 4 having different names.

Hexane

Names
IUPAC name Hexane[1]
Other names Sextane[2]
Identifiers
CAS Number	110-54-3 Y
3D model (JSmol)	Interactive image
Beilstein Reference	1730733
ChEBI	CHEBI:29021 Y
ChEMBL	ChEMBL15939 Y
ChemSpider	7767 Y
DrugBank	DB02764 Y
ECHA InfoCard	100.003.435
EC Number	203-777-6
Gmelin Reference	1985
KEGG	C11271 Y
MeSH	n-hexane
PubChem CID	8058
RTECS number	MN9275000
UNII	2DDG612ED8 Y
UN number	1208
CompTox Dashboard (EPA)	DTXSID0021917
SMILES CCCCCC
Properties
Chemical formula	C6H14
Molar mass	86.18 g·mol−1
Appearance	Colorless liquid
Odor	Petrolic
Density	0.6606 g mL−1[3]
Melting point	−96 to −94 °C; −141 to −137 °F; 177 to 179 K
Boiling point	68.5 to 69.1 °C; 155.2 to 156.3 °F; 341.6 to 342.2 K
Solubility in water	9.5 mg L−1
log P	3.764
Vapor pressure	17.60 kPa (at 20.0 °C)
kH	7.6 nmol Pa−1 kg−1
λmax	200 nm
Magnetic susceptibility (χ)	−74.6·10−6 cm3/mol
Refractive index (nD)	1.375
Viscosity	0.3 mPa·s
Thermochemistry
Std enthalpy of formation ΔfHo298	−199.4–−198.0 kJ mol−1
Std enthalpy of combustion ΔcHo298	−4180–−4140 kJ mol−1
Standard molar entropy So298	296.06 J K−1 mol−1
Specific heat capacity, C	265.2 J K−1 mol−1
Hazards
Main hazards	Reproductive toxicity – After aspiration, pulmonary oedema, pneumonitis, and death [4]
NFPA 704	3 1 0
Explosive limits	1.2–7.7%
U.S. Permissible exposure limit (PEL)	TWA 500 ppm (1800 mg/m3)[5]
Related compounds
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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

Hexane is often part of modern gasoline. Pure hexane has no color and is quite unreactive.

References

1. "n-hexane – Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2004. Identification and Related Records. Archived from the original on 8 March 2012. Retrieved 31 December 2011.
2. Hofmann, August Wilhelm Von (1 January 1867). "I. On the action of trichloride of phosphorus on the salts of the aromatic monamines". Proceedings of the Royal Society of London. 15: 54–62. doi:10.1098/rspl.1866.0018. S2CID 98496840. Archived from the original on 28 April 2018. Retrieved 28 April 2018 – via rspl.royalsocietypublishing.org.
3. William M. Haynes (2016). CRC Handbook of Chemistry and Physics (97th ed.). Boca Raton: CRC Press. p. 3–298. ISBN 978-1-4987-5429-3.
4. GHS Classification on [PubChem]
5. NIOSH Pocket Guide to Chemical Hazards. "#0322". National Institute for Occupational Safety and Health (NIOSH).