Heptane

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Heptane

General
Molecular formula C₇H₁₆
SMILES CCCCCCC
Molar mass 100.21 g/mol
Appearance colorless liquid
CAS number [142-82-5]
Properties
Density and phase 0.684 g/ml, liquid
Solubility in water Immiscible
Melting point −90.61 °C (182.55 K)
Boiling point 98.42 °C (371.58 K)
Viscosity 0.386 cP at 25 °C
Hazards
MSDS External MSDS
EU classification Flammable (F)
Harmful (Xn)
Dangerous for
the environment (N)
NFPA 704
R-phrases R11, R38, R50/53,
R65, R67
S-phrases S2, S9, S16, S29, S33,
S60, S61, S62
Flash point −4 °C
Autoignition temperature 285 °C
Explosive limits 1.1–6.7%
RTECS number MI7700000
Supplementary data page
Structure and
properties n, ε_r, etc.
Thermodynamic
data Phase behaviour
Solid, liquid, gas
Spectral data UV, IR, NMR, MS
Related compounds
Related alkanes Hexane
Octane
Related compounds Methylcyclohexane
Except where noted otherwise, data are given for
materials in their standard state (at 25 °C, 100 kPa)
[Chemical infoboxInfobox disclaimer and references]

Heptane (also known as dipropyl methane, gettysolve-C or heptyl hydride) is an alkane with the chemical formula H₃C(CH₂)₅CH₃. Heptane has nine isomers:

Heptane (n-heptane)
2-Methylhexane
3-Methylhexane
2,2-Dimethylpentane
2,3-Dimethylpentane
2,4-Dimethylpentane
3,3-Dimethylpentane
3-Ethylpentane
2,2,3-Trimethylbutane

The straight-chain isomer n-heptane is the zero point of the octane rating scale. It is undesirable in petrol, as it burns explosively, causing engine knocking, as opposed to branched-chain octane isomers, which burn more slowly and give better performance. Its choice for the zero point of the scale was due to the availability of very high purity n-heptane, unmixed with other isomers of heptane or other alkanes, distilled from the resin of Jeffrey pine. Other sources of heptane and octane, produced from crude oil, contain a mixture of different isomers with greatly differing ratings, so do not give a precise zero point.

External links

[International Chemical Safety Card 0657] (n-heptane)
[International Chemical Safety Card 0658] (2-methylhexane)
[NIOSH Pocket Guide to Chemical Hazards]
[European Chemicals Bureau]
[Material Safety Data Sheet for Heptane]
[Phytochemical database entry]

Alkanes

Methane
CH₄

Ethane
C₂H₆

Propane
C₃H₈

Butane
C₄H₁₀

Pentane
C₅H₁₂

Hexane
C₆H₁₄

Heptane
C₇H₁₆

Octane
C₈H₁₈

Nonane
C₉H₂₀

Decane
C₁₀H₂₂

Undecane
C₁₁H₂₄

Dodecane
C₁₂H₂₆

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Heptane

General
Molecular formula	C₇H₁₆
SMILES	CCCCCCC
Molar mass	100.21 g/mol
Appearance	colorless liquid
CAS number	[142-82-5]
Properties
Density and phase	0.684 g/ml, liquid
Solubility in water	Immiscible
Melting point	−90.61 °C (182.55 K)
Boiling point	98.42 °C (371.58 K)
Viscosity	0.386 cP at 25 °C
Hazards
MSDS	External MSDS
EU classification	Flammable (F) Harmful (Xn) Dangerous for the environment (N)
NFPA 704
R-phrases	R11, R38, R50/53, R65, R67
S-phrases	S2, S9, S16, S29, S33, S60, S61, S62
Flash point	−4 °C
Autoignition temperature	285 °C
Explosive limits	1.1–6.7%
RTECS number	MI7700000
Supplementary data page
Structure and properties	n, ε_r, etc.
Thermodynamic data	Phase behaviour Solid, liquid, gas
Spectral data	UV, IR, NMR, MS
Related compounds
Related alkanes	Hexane Octane
Related compounds	Methylcyclohexane
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) [Chemical infoboxInfobox disclaimer and references]