Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 17:58, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 455212114 of page 3-Methylglutaconyl-CoA for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 17:58, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 462340314 of page 3-Methylheptane for the Chem/Drugbox validation project (updated: '').Next edit →
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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.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{chembox		{{chembox
	\| verifiedrevid = ~~455200600~~		\| verifiedrevid = 401852718
	\|ImageFile=3-~~methylglutaconyl coenzyme A~~.~~svg~~		\| ImageFile = 3-Methylheptane.png
	\|ImageSize=~~300px~~		\| ImageSize = 160px
			\| ImageFile1 = Dl-3-methyl-heptane-spaceFill.png
	\|IUPACName=
			\| IUPACName = 3-Methylheptane
	\|OtherNames=		\| OtherNames = 2-Ethylhexane
	\|Section1= {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
⚫	\| CASNo=
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| PubChem=~~1142~~
		⚫	\| ChemSpiderID = 11035
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| InChIKey = LAIUFBWHERIJIH-UHFFFAOYAW
⚫	\| ChemSpiderID = ~~4444198~~
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
	\| StdInChI = 1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h8,12-13,15,20-22,26,39-40H,4-7,9-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-8+/t15-,20-,21-,22?,26-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~ZMMFWDHIXCPOHZ~~-~~XSVFPTIUSA~~-N		\| StdInChIKey = LAIUFBWHERIJIH-UHFFFAOYSA-N
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| SMILES=
		⚫	\| 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		\| Section2 = {{Chembox Properties
	\| Formula=C<sub>27</sub>H<sub>42</sub>~~N<sub>7</sub>O<sub>19</sub>P<sub>3</sub>S~~		\| Formula = C<sub>8</sub>H<sub>18</sub>
	\| MolarMass=~~893~~.~~645~~ g/mol		\| MolarMass = 114.23 g.mol<sup>-1</sup>
	\| Appearance=		\| Appearance = Clear liquid
	\| Density=		\| Density = 0.705 g.cm<sup>-3</sup>
			\| MeltingPtC = -121
	\| MeltingPt=
			\| BoilingPtC = +119
	\| BoilingPt=
	\| Solubility=		\| Solubility =
			\| HenryLaw = 0.00027 mol.kg<sup>-1</sup>.bar<sup>-1</sup>
	}}		}}
	\|Section3= {{Chembox Hazards		\| Section3 = {{Chembox Hazards
			\| MainHazards = Harmful ('''Xn'''), Highly flammable ('''F+'''), Dangerous for the environment ('''N''')
	\| MainHazards=
			\| RPhrases = {{R11}}, {{R38}}, {{R50/53}}, {{R65}}, {{R67}}
⚫	\| FlashPt=
			\| SPhrases = {{S9}}, {{S16}}, {{S29}}, {{S33}}, {{S60}}, {{S61}}, {{S62}}
⚫	\| Autoignition=
		⚫	\| FlashPt = 7.2 °C
		⚫	\| Autoignition =
	}}		}}
	}}		}}

Revision as of 17:58, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 462340314 of page 3-Methylheptane with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names


IUPAC name 3-Methylheptane
Other names 2-Ethylhexane
Identifiers
CAS Number	589-81-1
3D model (JSmol)	Interactive image
ChemSpider	11035
EC Number	209-660-6
PubChem CID	86182
InChI InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3Key: LAIUFBWHERIJIH-UHFFFAOYSA-N InChI=1/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3Key: LAIUFBWHERIJIH-UHFFFAOYAW
SMILES CC(CC)CCCC
Properties
Chemical formula	C₈H₁₈
Molar mass	114.23 g.mol
Appearance	Clear liquid
Density	0.705 g.cm
Melting point	−121 °C (−186 °F; 152 K)
Boiling point	+119 °C (246 °F; 392 K)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Harmful (Xn), Highly flammable (F+), Dangerous for the environment (N)
Flash point	7.2 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound