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Octane
From Wikipedia, the free encyclopedia
| Octane | |
|---|---|
  |
|
| General | |
| Molecular formula | C8H18 |
| SMILES | CCCCCCCC |
| Molar mass | 114.2285 g/mol |
| Appearance | colorless liquid |
| CAS number | [111-65-9] |
| Properties | |
| Density and phase | 0.703 g/ml, liquid |
| Solubility in water | Immiscible |
| Melting point | −57 °C (216 K) |
| Boiling point | 125.52 °C (398.7 K) |
| Viscosity | 0.542 cP at 20 °C |
| Thermodynamic data | |
| Std enthalpy change of formation, ΔfH |
−250 kJ/mol |
| Std enthalpy change of combustion, ΔcH |
−5430 kJ/mol |
| Standard molar entropy, S |
360 J·K−1·mol−1 |
| Hazards | |
| MSDS | External MSDS |
| EU classification | Flammable (F) Harmful (Xn) Dangerous for the environment (N) |
| NFPA 704 |
3
0
0
|
| R-phrases | R11, R38, R50/53, R65, R67 |
| S-phrases | S2, S9, S16, S29, S33, S60, S61, S62 |
| Flash point | 13 °C |
| Autoignition temperature | 220 °C |
| Explosive limits | 1.0–6.5% |
| RTECS number | RG8400000 |
| Supplementary data page | |
| Structure and properties |
n, εr, etc. |
| Thermodynamic data |
Phase behaviour Solid, liquid, gas |
| Spectral data | UV, IR, NMR, MS |
| Related compounds | |
| Related alkanes | Heptane 2,2,4-Trimethylpentane |
| Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references |
|
Octane is an alkane with the chemical formula CH3(CH2)6CH3. It has 18 isomers.
One of the isomers, 2,2,4-trimethylpentane or isooctane, is of major importance, as it has been selected as the 100 point on the octane rating scale, with n-heptane as the zero point. Octane ratings are ratings used to represent the anti-knock performance of petroleum-based fuels (octane is less likely to prematurely combust under pressure than heptane), given as the percentage of 2,2,4-trimethylpentane in an 2,2,4-trimethylpentane / n-heptane mixture that would have the same performance. It is an important constituent of gasoline.
Octane has 18 isomers :
- Octane (n-octane)
- 2-Methylheptane
- 3-Methylheptane
- 4-Methylheptane
- 3-Ethylhexane
- 2,2-Dimethylhexane
- 2,3-Dimethylhexane
- 2,4-Dimethylhexane
- 2,5-Dimethylhexane
- 3,3-Dimethylhexane
- 3,4-Dimethylhexane
- 2-Methyl-3-ethylpentane
- 3-Methyl-3-ethylpentane
- 2,2,3-Trimethylpentane
- 2,2,4-Trimethylpentane (isooctane)
- 2,3,3-Trimethylpentane
- 2,3,4-Trimethylpentane
- 2,2,3,3-Tetramethylbutane
- International Chemical Safety Card 0933 (n-octane)
- International Chemical Safety Card 0731 (2-methylheptane)
- NIOSH Pocket Guide to Chemical Hazards
- Material Safety Data Sheet for Octane
- Phytochemical database entry
- Links to external chemical sources
| Alkanes | |||||||||||||||||||||||||||||||
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Methane |
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Ethane |
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Propane |
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Butane |
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Pentane |
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Hexane |
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Heptane |
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Octane |
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Nonane |
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Decane |
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Undecane |
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Dodecane |
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