3-Methylheptane

3-Methylheptane
IUPAC name 3-Methylheptane[1]
Identifiers
CAS number	589-81-1 Y, 6131-25-5 S Y
PubChem	11519, 12263096 R, 12263095 S
ChemSpider	11035 Y
EC number	209-660-6
UN number	1262
Beilstein Reference	1730777
Jmol-3D images	Image 1
SMILES CCCCC(C)CC
InChI InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 Y- Key: LAIUFBWHERIJIH-UHFFFAOYSA-N Y
Properties
Molecular formula	C8H18
Molar mass	114.23 g mol−1
Appearance	Colourless liquid
Odor	Odourless
Density	705 mg mL−1
Melting point	−122 to −120 °C; −188 to −184 °F; 151 to 153 K
Boiling point	118 to 120 °C; 244 to 248 °F; 391 to 393 K
Vapor pressure	5.0 kPa (at 37.7 °C)
kH	2.7 nmol Pa−1 kg−1
Refractive index (nD)	1.398–1.399
Thermochemistry
Std enthalpy of formation ΔfHo298	−253.6–−251.4 kJ mol−1
Std enthalpy of combustion ΔcHo298	−5469.5–−5466.9 kJ mol−1
Standard molar entropy So298	362.6 J K−1 mol−1
Specific heat capacity, C	250.20 J K−1 mol−1
Hazards
GHS pictograms
GHS signal word	DANGER
GHS hazard statements	H225, H304, H315, H336, H410
GHS precautionary statements	P210, P261, P273, P301+310, P331
EU Index	601-009-00-8
EU classification	F Xn N
R-phrases	R11, R38, R50/53, R65, R67
S-phrases	(S2), S16, S29, S33
Flash point	7.2 °C; 45.0 °F; 280.3 K
Explosive limits	0.98–?%
Related compounds
Related alkanes	2-Methylhexane 3-Methylhexane 2-Methylheptane
Related compounds	Valnoctamide 2-Ethylhexanol Valpromide 2-Ethylhexanoic acid Propylheptyl alcohol
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

3-Methylheptane is a branched alkane isomeric to octane. Its structural formula is CH₃CH₂CH(CH₃)CH₂CH₂CH₂CH₃. It has one stereocenter.

Its refractive index is 1.398 (20 °C, D).^{[citation needed]}

References

External links

• Non-stereospecific oxidation of DL-3-methylheptane by aPseudomonas
• Physical and chemical properties table