3-Methylhexane

3-Methylhexane is a branched hydrocarbon with two enantiomers.[2] It is one of the isomers of heptane.

3-Methylhexane
Skeletal formula of 3-methylhexane
Ball-and-Stick model of 3-methylhexane
Names
Preferred IUPAC name
3-Methylhexane[1]
Identifiers
3D model (JSmol)
1718739
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.008.768
EC Number
  • 209-643-3
UNII
UN number 1206
  • InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 checkY
    Key: VLJXXKKOSFGPHI-UHFFFAOYSA-N checkY
  • (R): InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
    Key: VLJXXKKOSFGPHI-SSDOTTSWSA-N
  • (S): InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m0/s1
    Key: VLJXXKKOSFGPHI-ZETCQYMHSA-N
  • CCCC(C)CC
  • (R): CCC[C@H](C)CC
  • (S): CCC[C@@H](C)CC
Properties
C7H16
Molar mass 100.205 g·mol−1
Appearance Colorless liquid
Odor Odorless
Density 686 mg mL−1
Melting point −119.40 °C; −182.92 °F; 153.75 K
Boiling point 91.6 to 92.2 °C; 196.8 to 197.9 °F; 364.7 to 365.3 K
log P 4.118
Vapor pressure 14.7 kPa (at 37.7 °C)
3.2 nmol Pa−1 kg−1
1.388–1.389
Thermochemistry
216.7 J K−1 mol−1 (at −9.0 °C)
309.6 J K−1 mol−1
−228.7–−226.1 kJ mol−1
−4.8151–−4.8127 MJ mol−1
Hazards
GHS labelling:
GHS02: FlammableGHS07: Exclamation markGHS08: Health hazardGHS09: Environmental hazard
Danger
H225, H304, H315, H336, H411
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501
Flash point −1.0 °C (30.2 °F; 272.1 K)
280 °C (536 °F; 553 K)
Explosive limits 1–7%
Related compounds
Related alkanes
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)
Infobox references

The molecule is chiral, and is one of the two isomers of heptane to have this property, the other being its structural isomer 2,3-dimethylpentane. The enantiomers are (R)-3-methylhexane[3] and (S)-3-methylhexane.[4]

References
  1. "3-METHYLHEXANE – Compound Summary". PubChem Compound. USA: Nation Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 6 March 2012.
  2. Tro, Nivaldo J. Chemistry A Molecular Approach. Upper Saddle River, NJ: Pearson Prentice Hall, 2008
  3. "(-)-3-Methylhexane".
  4. "(+)-3-Methylhexane".
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