2,2,4-trimethylpentane

Also known as (CH3)2CHCH2C(CH3)3, Isobutyltrimethylmethane, iso-octane, isooctane

2,2,4-Trimethylpentane, also known as isooctane or iso-octane, is an organic compound with the formula (CH3)3CCH2CH(CH3)2. It is one of several isomers of octane (C8H18). This particular isomer is the standard 100 point on the octane rating scale (the zero point is n-heptane). It is an important component of gasoline, frequently used in relatively large proportions (around 10%) to increase the knock resistance of fuel.

Chemical data

Formula: C8H18
Molecular weight: 114.23 g/mol
IUPAC name: 2,2,4-trimethylpentane
SMILES: CC(C)CC(C)(C)C
InChIKey: NHTMVDHEPJAVLT-UHFFFAOYSA-N
XLogP: 3.8
Polar surface area: 0 Å²
H-bond donors: 0
H-bond acceptors: 0
Formal charge: 0

via PubChem

Wikidata facts

Has part: carbon
Mass: 114.141

Show 10 more facts

melting point: -107.3
chemical formula: C₈H₁₈
boiling point: 99.22
density: 0.688
canonical SMILES: CC(C)CC(C)(C)C
flash point: 4.5
refractive index: 1.39145
Commons category: 2,2,4-Trimethylpentane
found in taxon: ginger
ionization energy: 9.86

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Encyclopedic overview

6 sections

Contents

Production
History
Safety
See also
References
External links

Strictly speaking, if the standard meaning of "iso" is followed, the name isooctane should be reserved for the isomer 2-methylheptane. However, 2,2,4-trimethylpentane is by far the most important isomer of octane and historically it has been assigned this name.

Excerpted from Wikipedia’s “2,2,4-trimethylpentane” article, available under the CC BY-SA 4.0 licence.