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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 Latest revision as of 16:53, 18 April 2021 edit undoLegionMammal978 (talk | contribs)Extended confirmed users7,895 edits move PIN 
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{{chembox {{Chembox
| Verifiedfields = changed
| verifiedrevid = 401852718
| Watchedfields = changed
| verifiedrevid = 477219733
| ImageFile = 3-Methylheptane.png | ImageFile = 3-Methylheptane.png
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageSize = 160px
| ImageSize = 160
| ImageFile1 = Dl-3-methyl-heptane-spaceFill.png
| ImageName = Skeletal formula of 3-methylheptane
| IUPACName = 3-Methylheptane
| ImageFile1 = 3Methylheptane.png
| OtherNames = 2-Ethylhexane
| ImageFile1_Ref = {{chemboximage|correct|??}}
| Section1 = {{Chembox Identifiers
| ImageSize1 = 160
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ImageName1 = Ball-andStick model of 3-methylheptane
| PIN = 3-Methylheptane<ref>{{Cite web|title=3-METHYLHEPTANE - Compound Summary|url=https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11519&loc=ec_rcs|work=PubChem Compound|publisher=National Center for Biotechnology Information|access-date=8 March 2012|location=USA|date=26 March 2005|at=Identification and Related Records}}</ref>
|Section1={{Chembox Identifiers
| CASNo = 589-81-1
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo1 = 6131-25-5
| CASNo1_Ref = {{cascite|changed|??}}
| CASNo1_Comment = <small>''S''</small>
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = Z4R1WI6C0R
| PubChem = 11519
| PubChem1 = 12263096
| PubChem1_Comment = <small>''R''</small>
| PubChem2 = 12263095
| PubChem2_Comment = <small>''S''</small>
| ChemSpiderID = 11035 | ChemSpiderID = 11035
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| InChIKey = LAIUFBWHERIJIH-UHFFFAOYAW
| EINECS = 209-660-6
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| 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 = 1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}-
| StdInChIKey = LAIUFBWHERIJIH-UHFFFAOYSA-N | StdInChIKey = LAIUFBWHERIJIH-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| CASNo = 589-81-1
| EINECS = 209-660-6
| PubChem = 86182
| SMILES = CC(CC)CCCC
| InChI = 1/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>8</sub>H<sub>18</sub>
| MolarMass = 114.23 g.mol<sup>-1</sup>
| Appearance = Clear liquid
| Density = 0.705 g.cm<sup>-3</sup>
| MeltingPtC = -121
| BoilingPtC = +119
| Solubility =
| HenryLaw = 0.00027 mol.kg<sup>-1</sup>.bar<sup>-1</sup>
}}
| Section3 = {{Chembox Hazards
| MainHazards = Harmful ('''Xn'''), Highly flammable ('''F+'''), Dangerous for the environment ('''N''')
| RPhrases = {{R11}}, {{R38}}, {{R50/53}}, {{R65}}, {{R67}}
| SPhrases = {{S9}}, {{S16}}, {{S29}}, {{S33}}, {{S60}}, {{S61}}, {{S62}}
| FlashPt = 7.2 °C
| Autoignition =
}}
}} }}
|Section2={{Chembox Properties
| C=8 | H=18
| Appearance = Colourless liquid
| Odor = Odourless
| Density = 705 mg mL<sup>−1</sup>
| MeltingPtK = 151 to 153
| BoilingPtK = 391 to 393
| VaporPressure = 5.0 kPa (at 37.7&nbsp;°C)
| HenryConstant = 2.7 nmol Pa<sup>−1</sup> kg<sup>−1</sup>
| RefractIndex = 1.398–1.399
| MagSus = -97.99·10<sup>−6</sup> cm<sup>3</sup>/mol
}}
|Section3={{Chembox Thermochemistry
| 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}}
| FlashPtC = 7.2
| ExploLimits = 0.98–?%
}}
|Section5={{Chembox Related
| OtherFunction_label = alkanes
| OtherFunction = {{Unbulleted list|]|]|]}}
| OtherCompounds = {{Unbulleted list|]|]|]|]|]}}
}}
}}
'''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 ].


Its ] is 1.398 (20&nbsp;°C, D).{{Fact|date=March 2009}}
'''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.


==References==
Its ] is 1.398 (20 °C, D).{{Fact|date=March 2009}}
{{Reflist}}


==External links== ==External links==
* *
{{Hydrocarbon-stub}}
*

{{alkanes}}


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


{{hydrocarbon-stub}}

]
]
]

Latest revision as of 16:53, 18 April 2021

3-Methylheptane
Skeletal formula of 3-methylheptane
Skeletal formula of 3-methylheptane
Ball-andStick model of 3-methylheptane
Ball-andStick model of 3-methylheptane
Names
Preferred IUPAC name 3-Methylheptane
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1730777
ChemSpider
ECHA InfoCard 100.008.783 Edit this at Wikidata
EC Number
  • 209-660-6
PubChem CID
UNII
UN number 1262
CompTox Dashboard (EPA)
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 liquid
Odor Odourless
Density 705 mg mL
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 kg
Magnetic susceptibility (χ) -97.99·10 cm/mol
Refractive index (nD) 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
fH298)
−253.6–−251.4 kJ mol
Std enthalpy of
combustion
cH298)
−5469.5–−5466.9 kJ mol
Hazards
GHS labelling:
Pictograms GHS02: Flammable GHS07: Exclamation mark GHS08: Health hazard GHS09: Environmental hazard
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
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒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).

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

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Alkanes
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