Octane

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Octane
Identifiers
CAS number	[111-65-9]
RTECS number	RG8400000
SMILES	CCCCCCCC
Properties
Molecular formula	C8H18
Molar mass	114.2285 g/mol
Appearance	colorless liquid
Density	0.703 g/ml, liquid
Melting point	−57 °C (216 K)
Boiling point	125.52 °C (398.7 K)
Solubility in water	Immiscible
Viscosity	0.542 cP at 20 °C
Thermochemistry
Std enthalpy of formation ΔfHo298	−250 kJ/mol
Std enthalpy of combustion ΔcHo298	−5430 kJ/mol
Hazards
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	13 °C
Autoignition temperature	220 °C
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 a straight-chain alkane with the chemical formula CH₃(CH₂)₆CH₃.

Octane has 18 structural isomers:

• Octane (n-octane)
• 2-Methylheptane
• 3-Methylheptane (chiral)
• 4-Methylheptane
• 3-Ethylhexane
• 2,2-Dimethylhexane
• 2,3-Dimethylhexane (chiral)
• 2,4-Dimethylhexane (chiral)
• 2,5-Dimethylhexane
• 3,3-Dimethylhexane
• 3,4-Dimethylhexane (chiral, or meso compound)
• 2-Methyl-3-ethylpentane
• 3-Methyl-3-ethylpentane
• 2,2,3-Trimethylpentane (chiral)
• 2,2,4-Trimethylpentane (isooctane)
• 2,3,3-Trimethylpentane
• 2,3,4-Trimethylpentane
• 2,2,3,3-Tetramethylbutane

[edit] References

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[edit] External links

• International Chemical Safety Card 0933 (n-octane)
• NIOSH Pocket Guide to Chemical Hazards 0470
• Material Safety Data Sheet for Octane
• Phytochemical database entry
• Chemical and physical properties table