3-Methylhexane

3-Methylhexane
Names
	IUPAC name 3-Methylhexane
Identifiers
CAS Number	589-34-4 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1718739
ChEMBL	ChEMBL31377 ;
ChemSpider	11023 ; 553610 S ;
ECHA InfoCard	100.008.768
EC Number	209-643-3;
PubChem CID	11507; 13800357 R; 638046 S;
UNII	1J3ZK6L6VY ;
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 ;
	SMILES CCCC(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
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.^[2] 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 enantiomers are (R)-3-methylhexane^[3] and (S)-3-methylhexane.^[4]

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
^ https://pubchem.ncbi.nlm.nih.gov/compound/13800357
^ https://pubchem.ncbi.nlm.nih.gov/compound/638046

[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] ttps://pubchem.ncbi.nlm.nih.gov/compound/13800357

[4] ttps://pubchem.ncbi.nlm.nih.gov/compound/638046

[1]

[2]

[3]

[4]