2,2-Dimethylbutane

2,2-Dimethylbutane

Names
IUPAC name 2,2-Dimethylbutane[1]
Other names Neohexane,[2] 22DMB
Identifiers
CAS Number	75-83-2
Beilstein Reference	1730736
ChEMBL	ChEMBL142735
ChemSpider	6163
EC Number	1730736
Jmol interactive 3D	Image
PubChem	6403
UN number	1208
InChI InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 Key: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
SMILES CCC(C)(C)C
Properties
Chemical formula	C6H14
Molar mass	86.18 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)
Henry's law constant (kH)	6.5 nmol Pa^−1 kg^−1
Refractive index (nD)	1.369
Thermochemistry
Specific heat capacity (C)	189.67 J K^−1 mol^−1
Std molar entropy (S^o298)	272.00 J K^−1 mol^−1
Std enthalpy of formation (ΔfH^o298)	−214.4–−212.4 kJ mol^−1
Std enthalpy of combustion (ΔcH^o298)	−4.1494–−4.1476 MJ mol^−1
Hazards
GHS pictograms
GHS signal word	DANGER
GHS hazard statements	H225, H304, H315, H336, H411
GHS precautionary statements	P210, P261, P273, P301+310, P331
EU classification (DSD)	F Xn N
R-phrases	R11, R38, R51/53, R65, R67
S-phrases	(S2), S16, S29, S33
NFPA 704	3 1 0
Flash point	−29 °C (−20 °F; 244 K)
Autoignition temperature	425 °C (797 °F; 698 K)
Explosive limits	1.2–7.7%
US health exposure limits (NIOSH):
PEL (Permissible)	none[3]
Related compounds
Related alkanes	Neopentane 2,3-Dimethylbutane Triptane Tetramethylbutane Tetraethylmethane 2,2,4-Trimethylpentane 2,3,3-Trimethylpentane 2,3,4-Trimethylpentane Tetra-tert-butylmethane
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

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. It can be synthesised by the hydroisomerisation of 2,3-dimethylbutane using an acid catalyst.^[4]

See also

• methylbutane (isopentane)
• 2-Methylpentane (isohexane)

References

1. "2,2-DIMETHYLBUTANE - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 9 March 2012.
2. Haynes, William M. (2010). Handbook of Chemistry and Physics (91 ed.). Boca Raton, Florida: CRC Press. p. 3-194. ISBN 978-1439820773.
3. "NIOSH Pocket Guide to Chemical Hazards #0323". National Institute for Occupational Safety and Health (NIOSH).
4. "2,2-dimethylbutane". National Center for Biotechnology Information. 18 July 2015. Retrieved 20 July 2015.