2,2,4-Trimethylpentane
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| 2,2,4-Trimethylpentane | |
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| IUPAC name | 2,2,4-Trimethylpentane |
| Other names | Isooctane |
| Identifiers | |
| CAS number | [540-84-1] |
| RTECS number | SA3320000 |
| SMILES | CC(C)(C)CC(C)C |
| Properties | |
| Molecular formula | C8H18 |
| Molar mass | 114.22 g/mol |
| Appearance | colorless liquid |
| Density | 0.688 g/ml, liquid |
| Melting point |
−107.38 °C (165.77 K) |
| Boiling point |
99.3 °C (372.4 K) |
| Solubility in water | Immiscible |
| Thermochemistry | |
| Std enthalpy of formation ΔfH |
−259 kJ/mol |
| Std enthalpy of combustion ΔcH |
−5461 kJ/mol |
| Standard molar entropy S |
328 J·K−1·mol−1 |
| Hazards | |
| MSDS | MSDS |
| EU classification | Flammable (F) Harmful (Xn) Dangerous for the environment (N) |
| R-phrases | R11, R38, R50/53, R65, R67 |
| S-phrases | (S2), S9, S16, S29, S33, S60, S61, S62 |
| Flash point | 4.5 °C |
| Autoignition temperature |
417 °C |
| Explosive limits | 1.1–6.0% |
| Related compounds | |
| Related alkanes | Heptane Octane |
| Related compounds | Hexadecane |
| Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references |
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2,2,4-Trimethylpentane, also known as isooctane, is an octane isomer which defines the 100 point on the octane rating scale. It is an important component of gasoline.
Isooctane is produced on a massive scale in the petroleum industry, usually as a mixture with related hydrocarbons. The alkylation process alkylates isobutane with isobutylene using a strong acid catalyst. In the NExOCTANE process[1], isobutylene is dimerized into isooctene and then hydrogenated to isooctane.
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