3-Methylheptane: Difference between revisions

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Revision as of 01:06, 25 November 2011 editCheMoBot (talk \| contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'DrugBank_Ref', 'UNII_Ref', 'ChEMBL_Ref', 'ChEBI_Ref', 'KEGG_Ref') per Chem/Drugbox validation (report errors or [[u...← Previous edit		Revision as of 07:24, 8 March 2012 edit undoPlasmic Physics (talk \| contribs)Extended confirmed users, Rollbackers19,174 editsNo edit summaryNext edit →
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	{{~~chembox~~		{{Chembox
	\| verifiedrevid = 401852718		\| verifiedrevid = 401852718
	\| ImageFile = 3-Methylheptane.png		\| ImageFile = 3-Methylheptane.png
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| ImageSize = 160px
			\| ImageSize = 160
			\| ImageName = Skeletal formula of 3-methylheptane
	\| ImageFile1 = Dl-3-methyl-heptane-spaceFill.png		\| ImageFile1 = Dl-3-methyl-heptane-spaceFill.png
			\| ImageFile1_Ref = {{chemboximage\|correct\|??}}
	\| IUPACName = 3-Methylheptane
			\| ImageSize1 = 160
	\| OtherNames = 2-Ethylhexane
			\| ImageName1 = Spacefill model of 3-methylheptane (R and S)
			\| IUPACName = 3-Methylheptane<ref>{{Cite web\|title=3-METHYLHEPTANE - Compound Summary\|url=http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11519&loc=ec_rcs\|work=PubChem Compound\|publisher=National Center for Biotechnology Information\|accessdate=8 March 2012\|location=USA\|date=26 March 2005\|at=Identification and Related Records}}</ref>
			\| OtherNames = 2-Ethylhexane{{Citation needed\|date=March 2012}}
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| CASNo = 589-81-1
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ChemSpiderID = 11035
			\| CASNo1 = 6131-25-5
	\| InChIKey = LAIUFBWHERIJIH-UHFFFAOYAW
	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|correct\|~~chemspider~~}}		\| CASNo1_Ref = {{cascite\|correct\|??}}
			\| CASNo1_Comment = <small>''S''</small>
	\| StdInChI = 1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
			\| PubChem = 11519
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| PubChem_Ref = {{Pubchemcite\|correct\|Pubchem}}
	\| StdInChIKey = LAIUFBWHERIJIH-UHFFFAOYSA-N
			\| PubChem1 = 12263096
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| PubChem1_Ref = {{Pubchemcite\|correct\|Pubchem}}
	\| CASNo = 589-81-1
			\| PubChem1_Comment = <small>''R''</small>
	\| EINECS = 209-660-6
	\| ~~PubChem~~ = ~~86182~~		\| PubChem2 = 12263095
			\| PubChem2_Ref = {{Pubchemcite\|correct\|Pubchem}}
	\| SMILES = CC(CC)CCCC
			\| PubChem2_Comment = <small>''S''</small>
	\| InChI = 1/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
			\| ChemSpiderID = 11035
	}}
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| EINECS = 209-660-6
			\| UNNumber = 1262
			\| Beilstein = 1730777
			\| SMILES = CCCCC(C)CC
			\| StdInChI = 1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}-
			\| StdInChIKey = LAIUFBWHERIJIH-UHFFFAOYSA-N
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| C = 8
	\| Formula = C<sub>8</sub>H<sub>18</sub>
			\| H = 18
	\| MolarMass = 114.23 g.mol<sup>-1</sup>
			\| ExactMass = 114.140850576 g mol<sup>−1</sup>
	\| Appearance = Clear liquid
			\| Appearance = Colourless, transparent liquid
	\| Density = 0.705 g.cm<sup>-3</sup>
	\| ~~MeltingPtC~~ = ~~-121~~		\| Odor = Odourless
			\| Density = 705 mg mL<sup>−1</sup>
	\| BoilingPtC = +119
	\| ~~Solubility~~ =		\| MeltingPtKL = 151
			\| MeltingPtKH = 153
	\| HenryLaw = 0.00027 mol.kg<sup>-1</sup>.bar<sup>-1</sup>
			\| BoilingPtKL = 391
	}}
			\| BoilingPtKH = 393
	\| Section3 = {{Chembox Hazards
			\| VaporPressure = 5.0 kPa (at 37.7 °C)
	\| MainHazards = Harmful ('''Xn'''), Highly flammable ('''F+'''), Dangerous for the environment ('''N''')
			\| HenryConstant = 2.7 nmol Pa<sup>−1</sup> kg<sup>−1</sup>
	\| RPhrases = {{R11}}, {{R38}}, {{R50/53}}, {{R65}}, {{R67}}
			\| RefractIndex = 1.398–1.399
	\| SPhrases = {{S9}}, {{S16}}, {{S29}}, {{S33}}, {{S60}}, {{S61}}, {{S62}}
			}}
	\| FlashPt = 7.2 °C
			\| Section3 = {{Chembox Thermochemistry
	\| Autoignition =
			\| DeltaHf = −253.6–−251.4 kJ mol<sup>−1</sup>
	}}
			\| DeltaHc = −5469.5–−5466.9 kJ mol<sup>−1</sup>
			\| Entropy = 362.6 J K<sup>−1</sup> mol<sup>−1</sup>
			\| HeatCapacity = 250.20 J K<sup>−1</sup> mol<sup>−1</sup>
			}}
			\| Section4 = {{Chembox Hazards
			\| GHSPictograms = {{GHS flame}}{{GHS exclamation mark}}{{GHS health hazard}}{{GHS environment}}
			\| GHSSignalWord = '''DANGER'''
			\| HPhrases = {{H-phrases\|225\|304\|315\|336\|410}}
			\| PPhrases = {{P-phrases\|210\|261\|273\|301+310\|331}}
			\| EUIndex = 601-009-00-8
			\| EUClass = {{Hazchem F}} {{Hazchem Xn}} {{Hazchem N}}
			\| RPhrases = {{R11}}, {{R38}}, {{R50/53}}, {{R65}}, {{R67}}
			\| SPhrases = {{S2}}, {{S16}}, {{S29}}, {{S33}}
			\| FlashPt = 7.2 °C
			\| ExploLimits = 0.98–?%
			}}
			\| Section5 = {{Chembox Related
			\| Function = alkanes
			\| OtherFunctn = {{Unbulleted list\|]\|]\|]}}
			\| OtherCpds = ]
			}}
	}}		}}

	'''3-Methylheptane''' is a branched ] ]ic to ]. Its structural formula is CH<sub>3</sub>CH<sub>2</sub>CH(CH<sub>3</sub>)CH<sub>2</sub>CH<sub>2</sub>CH<sub>2</sub>CH<sub>3</sub>. It has one stereocenter.		'''3-Methylheptane''' is a branched ] ]ic to ]. Its structural formula is CH<sub>3</sub>CH<sub>2</sub>CH(CH<sub>3</sub>)CH<sub>2</sub>CH<sub>2</sub>CH<sub>2</sub>CH<sub>3</sub>. It has one stereocenter.

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	*		*
	*		*
			{{Alkanes}}

			{{Hydrocarbon-stub}}
	{{alkanes}}

	{{DEFAULTSORT:Methylheptane, 3-}}		{{DEFAULTSORT:Methylheptane, 3-}}
	]		]


	{{hydrocarbon-stub}}

	]		]

Revision as of 07:24, 8 March 2012

3-Methylheptane
Names
Skeletal formula of 3-methylheptane
Spacefill model of 3-methylheptane (R and S)
IUPAC name 3-Methylheptane
Other names 2-Ethylhexane
Identifiers
CAS Number	589-81-1 6131-25-5 S
3D model (JSmol)	Interactive image
Beilstein Reference	1730777
ChemSpider	11035
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-Key: LAIUFBWHERIJIH-UHFFFAOYSA-N
SMILES CCCCC(C)CC
Properties
Chemical formula	C₈H₁₈
Molar mass	114.232 g·mol
Appearance	Colourless, transparent liquid
Odor	Odourless
Density	705 mg mL
Vapor pressure	5.0 kPa (at 37.7 °C)
Henry's law constant (k_H)	2.7 nmol Pa kg
Refractive index (n_D)	1.398–1.399
Thermochemistry
Heat capacity (C)	250.20 J K mol
Std molar entropy (S₂₉₈)	362.6 J K mol
Std enthalpy of formation (Δ_fH₂₉₈)	−253.6–−251.4 kJ mol
Std enthalpy of combustion (Δ_cH₂₉₈)	−5469.5–−5466.9 kJ mol
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
Explosive limits	0.98–?%
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound

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

v t e Alkanes
Methane (CH₄) Ethane (C₂H₆) Propane (C₃H₈) Butane (C₄H₁₀) Pentane (C₅H₁₂) Hexane (C₆H₁₄) Heptane (C₇H₁₆) Octane (C₈H₁₈) Nonane (C₉H₂₀) Decane (C₁₀H₂₂) Undecane (C₁₁H₂₄) Dodecane (C₁₂H₂₆) Tridecane (C₁₃H₂₈) Tetradecane (C₁₄H₃₀) Pentadecane (C₁₅H₃₂) Hexadecane / Cetane (C₁₆H₃₄) Heptadecane (C₁₇H₃₆) Octadecane (C₁₈H₃₈) Nonadecane (C₁₉H₄₀) Icosane (C₂₀H₄₂) Heneicosane (C₂₁H₄₄) Tetracosane (C₂₄H₅₀) Nonacosane (C₂₉H₆₀) Hentriacontane (C₃₁H₆₄)
Higher alkanes List of alkanes

Alkanes

Methane (CH₄)
Ethane (C₂H₆)
Propane (C₃H₈)
Butane (C₄H₁₀)
Pentane (C₅H₁₂)
Hexane (C₆H₁₄)
Heptane (C₇H₁₆)
Octane (C₈H₁₈)
Nonane (C₉H₂₀)
Decane (C₁₀H₂₂)
Undecane (C₁₁H₂₄)
Dodecane (C₁₂H₂₆)
Tridecane (C₁₃H₂₈)
Tetradecane (C₁₄H₃₀)
Pentadecane (C₁₅H₃₂)
Hexadecane / Cetane (C₁₆H₃₄)
Heptadecane (C₁₇H₃₆)
Octadecane (C₁₈H₃₈)
Nonadecane (C₁₉H₄₀)
Icosane (C₂₀H₄₂)
Heneicosane (C₂₁H₄₄)
Tetracosane (C₂₄H₅₀)
Nonacosane (C₂₉H₆₀)
Hentriacontane (C₃₁H₆₄)

This article about a hydrocarbon is a stub. You can help Misplaced Pages by expanding it.

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

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