Hexane
| Names | |
|---|---|
| Preferred IUPAC name
Hexane | |
| Other names
Sextane, hexacarbane | |
| Identifiers | |
3D model (JSmol) |
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| 1730733 | |
| ChEBI | |
| ChEMBL | |
| ChemSpider | |
| DrugBank | |
| ECHA InfoCard | 100.003.435 |
| EC Number |
|
| 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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| Properties | |
| C6H14 | |
| Molar mass | 86.178 g·mol−1 |
| Appearance | Colorless liquid |
| Odor | Petrolic |
| Density | 0.6606 g mL−1 |
| 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) |
Henry's law constant (kH) |
7.6 nmol Pa−1 kg−1 |
| UV-vis (λmax) | 200 nm |
| −74.6·10−6 cm3/mol | |
Refractive index (nD) |
1.375 |
| Viscosity | 0.3 mPa·s |
| 0.08 D | |
| Thermochemistry | |
Heat capacity (C) |
265.2 J K−1 mol−1 |
Std molar entropy (S⦵298) |
296.06 J K−1 mol−1 |
Std enthalpy of formation (ΔfH⦵298) |
−199.4–−198.0 kJ mol−1 |
Std enthalpy of combustion (ΔcH⦵298) |
−4180–−4140 kJ mol−1 |
| Hazards | |
| Occupational safety and health (OHS/OSH): | |
Main hazards |
Reproductive toxicity – After aspiration, pulmonary oedema, pneumonitis |
| GHS labelling: | |
| Danger | |
| H225, H302, H305, H315, H336, H361fd, H373, H411 | |
| 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) |
| 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) |
LDLo (lowest published) |
56137 mg/kg (rat, oral) |
| NIOSH (US health exposure limits): | |
PEL (Permissible) |
TWA 500 ppm (1800 mg/m3) |
REL (Recommended) |
TWA 50 ppm (180 mg/m3) |
IDLH (Immediate danger) |
1100 ppm |
| Related compounds | |
Related alkanes |
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| Supplementary data page | |
| Hexane (data page) | |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references | |
Hexane (/ˈhɛkseɪn/) or n-hexane is an organic compound, a straight-chain alkane with six carbon atoms and has the molecular formula C6H14.
It is a colorless liquid, odorless when pure, and a boiling point of approximately 69 °C (156 °F). It is widely used as a cheap, relatively safe, largely unreactive, and easily evaporated non-polar solvent, and modern gasoline blends contain about 3% hexane.
The term hexanes refers to a mixture, composed largely (>60%) of n-hexane, with varying amounts of the isomeric compounds 2-methylpentane and 3-methylpentane, and possibly, smaller amounts of nonisomeric C5, C6, and C7 (cyclo)alkanes. These "hexanes" mixtures are cheaper than pure hexane and are often used in large-scale operations not requiring a single isomer (e.g., as cleaning solvent or for chromatography).