3-Methylhexane

3-Methylhexane

Names
IUPAC name 3-Methylhexane[1]
Identifiers
CAS Number	589-34-4
Beilstein Reference	1718739
ChEMBL	ChEMBL31377
ChemSpider	11023 553610 S
EC Number	209-643-3
Jmol interactive 3D	Image
PubChem	11507 13800357 R 638046 S
UN number	1206
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	100.21 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
Specific heat capacity (C)	216.7 J K^−1 mol^−1 (at -9.0 °C)
Std molar entropy (S^o298)	309.6 J K^−1 mol^−1
Std enthalpy of formation (ΔfH^o298)	−228.7–−226.1 kJ mol^−1
Std enthalpy of combustion (ΔcH^o298)	−4.8151–−4.8127 MJ mol^−1
Hazards
EU classification (DSD)	F Xn N
R-phrases	R11, R38, R50/53, R65, R67
S-phrases	(S2), S16, S29, S33
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).
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Infobox references

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

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