3-Methylheptane

3-Methylheptane

Names
IUPAC name 3-Methylheptane
Identifiers
CAS Number	589-81-1 Y 6131-25-5 S N
3D model (JSmol)	Interactive image
Beilstein Reference	1730777
ChemSpider	11035 Y
ECHA InfoCard	100.008.783
EC Number	209-660-6
PubChem CID	11519 12263096 R 12263095 S
UN number	1262
CompTox Dashboard (EPA)	DTXSID90862250
InChI InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 Y- Key: LAIUFBWHERIJIH-UHFFFAOYSA-N Y
SMILES CCCCC(C)CC
Properties
Chemical formula	C8H18
Molar mass	114.232 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)
Henry's law constant (kH)	2.7 nmol Pa−1 kg−1
Refractive index (nD)	1.398–1.399
Thermochemistry
Heat capacity (C)	250.20 J K−1 mol−1
Std molar entropy (S⦵298)	362.6 J K−1 mol−1
Std enthalpy of formation (ΔfH⦵298)	−253.6–−251.4 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298)	−5469.5–−5466.9 kJ mol−1
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H304, H315, H336, H410
Precautionary statements	P210, P261, P273, P301+P310, P331
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
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) 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).

External links

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