3-Methylhexane

3-Methylhexane
	Skeletal formula of 3-methylhexane
	Ball-and-Stick model of 3-methylhexane
Names
	Preferred IUPAC name 3-Methylhexane
Identifiers
CAS Number	589-34-4 ; (R): 78918-91-9; (S): 6131-24-4;
3D model (JSmol)	Interactive image; (R): Interactive image; (S): Interactive image;
Beilstein Reference	1718739
ChEBI	CHEBI:143848;
ChEMBL	ChEMBL31377 ;
ChemSpider	11023 ; (R): 21428376; (S): 553610 ;
ECHA InfoCard	100.008.768
EC Number	209-643-3;
PubChem CID	11507; (R): 13800357; (S): 638046;
UNII	1J3ZK6L6VY ; (R): 597F91020C; (S): 66M56682SH;
UN number	1206
CompTox Dashboard (EPA)	DTXSID3044334 ;
	InChI InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 Key: VLJXXKKOSFGPHI-UHFFFAOYSA-N ; (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;
	SMILES CCCC(C)CC; (R): CCC[C@H](C)CC; (S): CCC[C@@H](C)CC;
Properties
Chemical formula	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)
Henry's law; constant (kH)	3.2 nmol Pa−1 kg−1
Refractive index (nD)	1.388–1.389
Thermochemistry
Heat capacity (C)	216.7 J K−1 mol−1 (at −9.0 °C)
Std molar; entropy (S⦵298)	309.6 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−228.7–−226.1 kJ mol−1
Std enthalpy of; combustion (ΔcH⦵298)	−4.8151–−4.8127 MJ mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H304, H315, H336, H411
Precautionary statements	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)
Autoignition; temperature	280 °C (536 °F; 553 K)
Explosive limits	1–7%
Related compounds
Related alkanes	2-Methylpentane; 3-Methylpentane; 3-Ethylpentane; 2-Methylhexane; 2-Methylheptane; 3-Methylheptane;
Related compounds	2-Ethyl-1-butanol; Valnoctamide; 2-Ethylhexanol; Valpromide; 2-Ethylhexanoic acid;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

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

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 and (S)-3-methylhexane.

References

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

[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".