| Revision as of 17:58, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,294 edits Saving copy of the {{chembox}} taken from revid 471016131 of page 3-Methylhexane for the Chem/Drugbox validation project (updated: ''). |
Latest revision as of 10:47, 28 August 2022 edit Jérôme (talk | contribs)Extended confirmed users3,612 edits capitalization |
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{{Chembox |
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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{{chembox |
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| Watchedfields = changed |
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| Watchedfields = changed |
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| verifiedrevid = 413267760 |
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| verifiedrevid = 477219751 |
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| ImageFile = 3-methylhexane.png |
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| ImageFile = 3-Methylhexane skeletal.svg |
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| ImageFile_Ref = {{chemboximage|correct|??}} |
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| ImageSize = 180px |
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| ImageSize = 160 |
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| ImageName = Skeletal formula |
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| ImageName = Skeletal formula of 3-methylhexane |
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| ImageFile1 = 3-Methylhexane-3D-balls.png |
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| ImageFile1 = 3Methylhexane.png |
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| ImageName1 = Ball-and-stick model |
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| ImageFile1_Ref = {{chemboximage|correct|??}} |
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|IUPACName=3-Methylhexane |
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| ImageSize1 = 150 |
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|OtherNames= |
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| ImageName1 = Ball-and-Stick model of 3-methylhexane |
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| PIN = 3-Methylhexane<ref>{{Cite web|title=3-METHYLHEXANE – Compound Summary|url=https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11507&loc=ec_rcs|work=PubChem Compound|publisher=Nation Center for Biotechnology Information|access-date=6 March 2012|location=USA|date=26 March 2005|at=Identification and Related Records}}</ref> |
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|Section1={{Chembox Identifiers |
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|Section1={{Chembox Identifiers |
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| CASNo = 589-34-4 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo1 = 78918-91-9 |
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| CASNo2 = 6131-24-4 |
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| index1_label = (''R'') |
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| index2_label = (''S'') |
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| PubChem = 11507 |
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| PubChem1 = 13800357 |
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| PubChem2 = 638046 |
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| ChEBI = 143848 |
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| ChemSpiderID = 11023 |
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| ChemSpiderID = 11023 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| InChI = 1/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 |
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| ChemSpiderID1 = 21428376 |
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| InChIKey = VLJXXKKOSFGPHI-UHFFFAOYAV |
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| ChemSpiderID2 = 553610 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChemSpiderID2_Ref = {{chemspidercite|correct|chemspider}} |
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| EINECS = 209-643-3 |
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| UNNumber = 1206 |
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| ChEMBL = 31377 |
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| ChEMBL = 31377 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| Beilstein = 1718739 |
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| SMILES = CCCC(C)CC |
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| SMILES1 = CCC(C)CC |
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| SMILES2 = CCC(C)CC |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = 1J3ZK6L6VY |
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| UNII1 = 597F91020C |
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| UNII2 = 66M56682SH |
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| StdInChI = 1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 |
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| StdInChI = 1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = VLJXXKKOSFGPHI-UHFFFAOYSA-N |
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| StdInChIKey = VLJXXKKOSFGPHI-UHFFFAOYSA-N |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| InChI1=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1 |
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| CASNo=589-34-4 |
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| InChIKey1 = VLJXXKKOSFGPHI-SSDOTTSWSA-N |
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| PubChem=11507 |
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| InChI2=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m0/s1 |
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| SMILES = CCCC(C)CC |
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| InChIKey2 = VLJXXKKOSFGPHI-ZETCQYMHSA-N |
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}} |
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}} |
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|Section2={{Chembox Properties |
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|Section2={{Chembox Properties |
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| C=7|H=16 |
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| C=7 | H=16 |
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| Appearance= |
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| Appearance = Colorless liquid |
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| Odor = Odorless |
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| Density= |
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| Density = 686 mg mL<sup>−1</sup> |
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| MeltingPt= |
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| MeltingPtK = 153.75 |
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| BoilingPt= |
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| BoilingPtK = 364.7 to 365.3 |
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| Solubility= |
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| LogP = 4.118 |
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}} |
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| VaporPressure = 14.7 kPa (at 37.7 °C) |
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|Section3={{Chembox Hazards |
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| HenryConstant = 3.2 nmol Pa<sup>−1</sup> kg<sup>−1</sup> |
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| MainHazards= |
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| RefractIndex = 1.388–1.389 |
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| FlashPt= |
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}} |
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| Autoignition= |
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|Section3={{Chembox Thermochemistry |
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}} |
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| DeltaHf = −228.7–−226.1 kJ mol<sup>−1</sup> |
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| DeltaHc = −4.8151–−4.8127 MJ mol<sup>−1</sup> |
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| Entropy = 309.6 J K<sup>−1</sup> mol<sup>−1</sup> |
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| HeatCapacity = 216.7 J K<sup>−1</sup> mol<sup>−1</sup> (at −9.0 °C) |
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}} |
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|Section4={{Chembox Hazards |
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| GHSPictograms = {{GHS02}}{{GHS07}}{{GHS08}}{{GHS09}} |
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| GHSSignalWord = Danger |
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| HPhrases = {{H-phrases|225|304|315|336|411}} |
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| PPhrases = {{P-phrases|210|233|240|241|242|243|261|264|271|273|280|301+310|302+352|303+361+353|304+340|312|321|331|332+313|362|370+378|391|403+233|403+235|405|501}} |
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| FlashPtC = -1.0 |
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| AutoignitionPtC = 280 |
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| ExploLimits = 1–7% |
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}} |
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|Section5={{Chembox Related |
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| OtherFunction_label = alkanes |
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| OtherFunction = {{Unbulleted list|]|]|]|]|]|]}} |
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| OtherCompounds = {{Unbulleted list|]|]|]|]|]}} |
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'''3-Methylhexane''' is a branched ] with two enantiomers.<ref>Tro, Nivaldo J. Chemistry A Molecular Approach. Upper Saddle River, NJ: Pearson Prentice Hall, 2008</ref> It is one of the ] of ]. |
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The molecule is ], and is one of the two isomers of heptane to have this property, the other being its structural isomer ]. The enantiomers are (''R'')-3-methylhexane<ref>{{Cite web|url=https://pubchem.ncbi.nlm.nih.gov/compound/13800357|title = (-)-3-Methylhexane}}</ref> and (''S'')-3-methylhexane.<ref>{{Cite web|url=https://pubchem.ncbi.nlm.nih.gov/compound/638046|title=(+)-3-Methylhexane}}</ref> |
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==References== |
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{{Reflist}} |
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{{DEFAULTSORT:Methylhexane, 3-}} |
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] |