3-Methylheptane

3-Methylheptane
Names

IUPAC name 3-Methylheptane^[1]
Identifiers
CAS Number	589-81-1^Y 6131-25-5 S^N
Beilstein Reference	1730777
ChemSpider	11035^Y
EC Number	209-660-6
Jmol interactive 3D	Image
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^Y- Key: LAIUFBWHERIJIH-UHFFFAOYSA-N^Y
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 (k_H)	2.7 nmol Pa⁻¹ kg⁻¹
Refractive index (n_D)	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 (Δ_fH^o₂₉₈)	−253.6–−251.4 kJ mol⁻¹
Std enthalpy of combustion (Δ_cH^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).
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).

References

↑ "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

Alkanes

Methane (CH 4) Ethane (C 2H 6) Propane (C 3H 8) Butane (C 4H 10) Pentane (C 5H 12) Hexane (C 6H 14) Heptane (C 7H 16) Octane (C 8H 18) Nonane (C 9H 20) Decane (C 10H 22) Undecane (C 11H 24) Dodecane (C 12H 26) Tridecane (C 13H 28) Tetradecane (C 14H 30) Pentadecane (C 15H 32) Hexadecane / Cetane (C 16H 34) Heptadecane (C 17H 36) Octadecane (C 18H 38) Nonadecane (C 19H 40) Icosane (C 20H 42)

Higher alkanes List of alkanes

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