3-Methylhexane

3-Methylhexane

Names
IUPAC name 3-Methylhexane[1]
Identifiers
Beilstein Reference	1718739
CAS Registry Number	589-34-4 Y
ChEMBL	ChEMBL31377 Y
ChemSpider	11023 Y 553610 S Y
EC number	209-643-3
InChI InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 Y Key: VLJXXKKOSFGPHI-UHFFFAOYSA-N Y
Jmol-3D images	Image
PubChem	11507 13800357 R 638046 S
SMILES CCCC(C)CC
UN number	1206
Properties
Molecular formula	C7H16
Molar mass	100.20 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 °C; 196.8 °F; 364.7 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 (So298)	309.6 J K−1 mol−1
Std enthalpy of formation (ΔfHo298)	−228.7–−226.1 kJ mol−1
Std enthalpy of combustion (ΔcHo298)	−4.8151–−4.8127 MJ mol−1
Hazards
EU Index	601-008-00-2
EU classification	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 noted otherwise, data is given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Y verify (what is: Y/N?)
Infobox references

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

References