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Cyclohexane: Encyclopedia BETA


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Cyclohexane

Cyclohexane

A cyclohexane molecule in chair conformation, with hydrogen atoms in axial position in red, equatorial in blue.

3D structure of a cyclohexane molecule

General
Molecular formulaC6H12
SMILESC1CCCCC1
Molar mass84.16 g/mol
AppearanceColorless liquid
CAS number[110-82-7]
Properties
Density and phase0.779 g/ml, liquid
Solubility in waterImmiscible
Solubility in ethanolMiscible
Melting point6.55 °C
Boiling point80.74 °C
Viscosity1.02 cP at 17 °C
Index of refraction, nD1.423
Thermodynamic data
Standard enthalpy
of formation
Î"fHoliquid
-156 kJ/mol
Standard enthalpy
of combustion
Î"cHoliquid
-3920 kJ/mol
Standard molar entropy
Soliquid
? J.K−1.mol−1
Hazards
MSDSExternal MSDS
EU classificationFlammable (F)
Harmful (Xn)
Dangerous for
the environment (N)
NFPA 704
Nfpa_h1.png

Nfpa_h1.png

Nfpa_f3.png

Nfpa_f3.png

Nfpa_r0.png

Nfpa_r0.png

R-phrases, , ,
,
S-phrases, , , ,
, , ,
Supplementary data page
Structure and
properties
n, εr, etc.
Thermodynamic
data
Phase behaviour
Solid, liquid, gas
Spectral dataUV, IR, NMR, MS
Regulatory dataFlash point,
RTECS number, etc.
Related compounds
Related cycloalkanesCyclopentane
Cycloheptane
Related compounds Cyclohexene
Except where noted otherwise, data are given for
materials in their standard state (at 25 °C, 100 kPa)
Infobox disclaimer and references
Cyclohexane is a cycloalkane with the molecular formula C6H12. Cyclohexane is used as a nonpolar solvent for the chemical industry, and also as a raw material for the industrial production of adipic acid and caprolactam, both of which are intermediates used in the production of nylon.

Chemical conformation

To reduce ring strain, cyclohexane adopts a three-dimensional structure known as the chair conformation. Half of the substituents are in the plane of the ring (equatorial) while the other half are perpendicular to the plane (axial). Other conformations are boat, bent chair and twisted boat.

See also

* Hexane

External links

*International Chemical Safety Card 0242
* National Pollutant Inventory - Cyclohexane fact sheet
*NIOSH Pocket Guide to Chemical Hazards
*Cyclohexane@3Dchem



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