2,2-Dimethylbutane

2,2-Dimethylbutane, trivially known as neohexane, is an organic compound with formula C6H14 or (H3C-)3-C-CH2-CH3. It is therefore an alkane, indeed the most compact and branched of the hexane isomers — the only one with a quaternary carbon and a butane (C4) backbone.

2,2-Dimethylbutane
Names
Preferred IUPAC name
2,2-Dimethylbutane
Other names
Neohexane, 22DMB
Identifiers
3D model (JSmol)
1730736
ChEMBL
ChemSpider
ECHA InfoCard 100.000.825
EC Number
  • 200-906-8
PubChem CID
RTECS number
  • EJ9300000
UNII
UN number 1208
  • InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 Y
    Key: HNRMPXKDFBEGFZ-UHFFFAOYSA-N Y
SMILES
  • CCC(C)(C)C
Properties
C6H14
Molar mass 86.178 g·mol−1
Appearance Colorless liquid
Odor Odorless
Density 649 mg mL−1
Melting point −102 to −98 °C; −152 to −145 °F; 171 to 175 K
Boiling point 49.7 to 49.9 °C; 121.4 to 121.7 °F; 322.8 to 323.0 K
log P 3.51
Vapor pressure 36.88 kPa (at 20 °C)
6.5 nmol Pa−1 kg−1
Magnetic susceptibility (χ)
-76.24·10−6 cm3/mol
Refractive index (nD)
1.369
Thermochemistry
189.67 J K−1 mol−1
Std molar
entropy (S298)
272.00 J K−1 mol−1
Std enthalpy of
formation fH298)
−214.4–−212.4 kJ mol−1
−4.1494–−4.1476 MJ mol−1
Hazards
GHS labelling:
Danger
H225, H304, H315, H336, H411
P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)
1
3
0
Flash point −29 °C (−20 °F; 244 K)
425 °C (797 °F; 698 K)
Explosive limits 1.2–7.7%
NIOSH (US health exposure limits):
PEL (Permissible)
none
Related compounds
Related alkanes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references
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