Octane
Octane is a hydrocarbon and an alkane with the chemical formula C8H18, and the condensed structural formula CH3(CH2)6CH3. Octane has many structural isomers that differ by the amount and location of branching in the carbon chain. One of these isomers, 2,2,4-trimethylpentane (commonly called iso-octane) is used as one of the standard values in the octane rating scale.
| Names | |
|---|---|
| Systematic IUPAC name
Octane | |
| Other names
n-Octane Octacarbane | |
| Identifiers | |
3D model (JSmol) |
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| 3DMet | |
| 1696875 | |
| ChEBI | |
| ChEMBL | |
| ChemSpider | |
| DrugBank | |
| ECHA InfoCard | 100.003.539 |
| EC Number |
|
| 82412 | |
| KEGG | |
| MeSH | octane |
PubChem CID |
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| RTECS number |
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| UNII | |
| UN number | 1262 |
CompTox Dashboard (EPA) |
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| Properties | |
| CH3(CH2)6CH3 | |
| Molar mass | 114.232 g·mol−1 |
| Appearance | Colourless liquid |
| Odor | Gasoline-like |
| Density | 0.703 g/cm3 |
| Melting point | −57.1 to −56.6 °C; −70.9 to −69.8 °F; 216.0 to 216.6 K |
| Boiling point | 125.1 to 126.1 °C; 257.1 to 258.9 °F; 398.2 to 399.2 K |
| 0.007 mg/dm3 (at 20 °C) | |
| log P | 4.783 |
| Vapor pressure | 1.47 kPa (at 20.0 °C) |
Henry's law constant (kH) |
29 nmol/(Pa·kg) |
| Conjugate acid | Octonium |
| −96.63·10−6 cm3/mol | |
Refractive index (nD) |
1.398 |
| Viscosity | |
| Thermochemistry | |
Heat capacity (C) |
255.68 J/(K·mol) |
Std molar entropy (S⦵298) |
361.20 J/(K·mol) |
Std enthalpy of formation (ΔfH⦵298) |
−252.1 to −248.5 kJ/mol |
Std enthalpy of combustion (ΔcH⦵298) |
−5.53 to −5.33 MJ/mol |
| Hazards | |
| GHS labelling: | |
| Danger | |
| H225, H304, H315, H336, H410 | |
| P210, P261, P273, P301+P310, P331 | |
| NFPA 704 (fire diamond) | |
| Flash point | 13.0 °C (55.4 °F; 286.1 K) |
| 220.0 °C (428.0 °F; 493.1 K) | |
| Explosive limits | 0.96 – 6.5% |
| Lethal dose or concentration (LD, LC): | |
LDLo (lowest published) |
428 mg/kg (mouse, intravenous) |
| NIOSH (US health exposure limits): | |
PEL (Permissible) |
TWA 500 ppm (2350 mg/m3) |
REL (Recommended) |
TWA 75 ppm (350 mg/m3) C 385 ppm (1800 mg/m3) [15-minute] |
IDLH (Immediate danger) |
1000 ppm |
| 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).
Infobox references | |
Octane is a component of gasoline (petrol). As with all low-molecular-weight hydrocarbons, octane is volatile and very flammable.
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