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 | ||
| 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 | ||
| |
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}- | ||
| StdInChIKey = LAIUFBWHERIJIH-UHFFFAOYSA-N | | StdInChIKey = LAIUFBWHERIJIH-UHFFFAOYSA-N | ||
| |
| 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 °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 °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
Names | |
---|---|
Preferred IUPAC name 3-Methylheptane | |
Identifiers | |
CAS Number | |
3D model (JSmol) | |
Beilstein Reference | 1730777 |
ChemSpider | |
ECHA InfoCard | 100.008.783 |
EC Number |
|
PubChem CID | |
UNII | |
UN number | 1262 |
CompTox Dashboard (EPA) | |
InChI
| |
SMILES
| |
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 (ΔfH298) |
−253.6–−251.4 kJ mol |
Std enthalpy of combustion (ΔcH298) |
−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 (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). N verify (what is ?) 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
This article about a hydrocarbon is a stub. You can help Misplaced Pages by expanding it. |
Alkanes | |
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| |