3-Methylheptane

3-Methylheptane

Names
IUPAC name 3-Methylheptane[1]
Identifiers
CAS Number	589-81-1 6131-25-5 S
3D model (Jmol)	Interactive image
Beilstein Reference	1730777
ChemSpider	11035
ECHA InfoCard	100.008.783
EC Number	209-660-6
PubChem	11519 12263096 R 12263095 S
UN number	1262
InChI InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3- Key: LAIUFBWHERIJIH-UHFFFAOYSA-N
SMILES CCCCC(C)CC
Properties
Chemical 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)
Henry's law constant (kH)	2.7 nmol Pa^−1 kg^−1
Refractive index (nD)	1.398–1.399
Thermochemistry
Specific heat capacity (C)	250.20 J K^−1 mol^−1
Std molar entropy (S^o298)	362.6 J K^−1 mol^−1
Std enthalpy of formation (ΔfH^o298)	−253.6–−251.4 kJ mol^−1
Std enthalpy of combustion (ΔcH^o298)	−5469.5–−5466.9 kJ 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 classification (DSD)	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
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-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).

References

1. "3-METHYLHEPTANE - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 8 March 2012.

External links

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