Hexane
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| Names | |
|---|---|
| IUPAC name
Hexane[1] | |
| Other names
Sextane[2] | |
| Identifiers | |
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3D model (JSmol) |
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| Beilstein Reference | 1730733 |
| ChEBI | |
| ChEMBL | |
| ChemSpider | |
| DrugBank | |
| ECHA InfoCard | 100.003.435 |
| EC Number |
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| Gmelin Reference | 1985 |
| KEGG | |
| MeSH | n-hexane |
PubChem CID |
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| RTECS number |
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| UNII | |
| UN number | 1208 |
CompTox Dashboard (EPA) |
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SMILES
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| Properties | |
| 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 |
| 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 |
| −74.6·10−6 cm3/mol | |
Refractive index (nD) |
1.375 |
| Viscosity | 0.3 mPa·s |
| Thermochemistry | |
| Std enthalpy of formation ΔfH |
−199.4–−198.0 kJ mol−1 |
| Std enthalpy of combustion ΔcH |
−4180–−4140 kJ mol−1 |
| Standard molar entropy S |
296.06 J K−1 mol−1 |
| Specific heat capacity, C | 265.2 J K−1 mol−1 |
| Hazards | |
| Occupational safety and health (OHS/OSH): | |
Main hazards |
Reproductive toxicity – After aspiration, pulmonary oedema, pneumonitis, and death [4] |
| GHS labelling: | |
Pictograms |
Template:GHS flame Template:GHS exclamation mark Template:GHS health hazard Template:GHS environment |
Signal word |
Danger |
Hazard statements |
H225, H304, H315, H336, H361fd, H373, H411 |
Precautionary statements |
P201, P202, P210, P233, P235, P240, P241, P242, P243, P260, P264, P271, P273, P280, P281, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P308+P313, P310, P312, P314, P332+P313, P363, P370+P378, P391, P403+P233, P405, P501 |
| NFPA 704 (fire diamond) | |
| Flash point | −26.0 °C (−14.8 °F; 247.2 K) |
Autoignition temperature |
234.0 °C (453.2 °F; 507.1 K) |
| Explosive limits | 1.2–7.7% |
| Lethal dose or concentration (LD, LC): | |
LD50 (median dose) |
25 g kg−1 (oral, rat) 28710 mg/kg (rat, oral)[5] |
LDLo (lowest published) |
56137 mg/kg (rat, oral)[5] |
| NIOSH (US health exposure limits): | |
PEL (Permissible) |
TWA 500 ppm (1800 mg/m3)[6] |
REL (Recommended) |
TWA 50 ppm (180 mg/m3)[6] |
IDLH (Immediate danger) |
1100 ppm[6] |
| Related compounds | |
Related alkanes |
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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 | |
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 is often part of modern gasoline. Pure hexane has no color and is quite unreactive.
References
- ↑ "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.
- ↑ 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.
- ↑ 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.
- ↑ GHS Classification on [PubChem]
- 1 2 "n-Hexane". Immediately Dangerous to Life or Health Concentrations. National Institute for Occupational Safety and Health.
- 1 2 3 NIOSH Pocket Guide to Chemical Hazards. "#0322". National Institute for Occupational Safety and Health (NIOSH).