2,2-Dimethylbutane

2,2-Dimethylbutane
Ball stick model of 2,2-dimethylbutane	Spacefill model of 2,2-dimethylbutane
Names
	IUPAC name 2,2-Dimethylbutane[1]
	Other names Neohexane,[2] 22DMB
Identifiers
CAS Number	75-83-2 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1730736
ChEMBL	ChEMBL142735 ;
ChemSpider	6163 ;
ECHA InfoCard	100.000.825
EC Number	200-906-8;
PubChem CID	6403;
RTECS number	EJ9300000;
UNII	07L56L3MP2 ;
UN number	1208
CompTox Dashboard (EPA)	DTXSID4025111 ;
	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	86.178 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)
Henry's law; constant (kH)	6.5 nmol Pa−1 kg−1
Magnetic susceptibility (χ)	-76.24·10−6 cm3/mol
Refractive index (nD)	1.369
Thermochemistry
Heat capacity (C)	189.67 J K−1 mol−1
Std molar; entropy (So298)	272.00 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−214.4–−212.4 kJ mol−1
Std enthalpy of; combustion (ΔcH⦵298)	−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
NFPA 704 (fire diamond)	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%
	NIOSH (US health exposure limits):
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]

References

"2,2-DIMETHYLBUTANE - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 9 March 2012.
Haynes, William M. (2010). Handbook of Chemistry and Physics (91 ed.). Boca Raton, Florida, USA: CRC Press. p. 3-194. ISBN 978-1-43982077-3.
NIOSH Pocket Guide to Chemical Hazards. "#0323". National Institute for Occupational Safety and Health (NIOSH).
"2,2-dimethylbutane". National Center for Biotechnology Information. 18 July 2015. Retrieved 20 July 2015.

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[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, USA: CRC Press. p. 3-194. ISBN 978-1-43982077-3.

[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.

2,2-Dimethylbutane

See also

References