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Revision as of 15:08, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 464377832 of page Cholesterol for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 15:14, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 464377212 of page Isopentane 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 = ~~443521001~~		\| verifiedrevid = 443886500
			\| Name = Isopentane
	\| ImageFile=Cholesterol.svg
			\| ImageFile = 2-methylbutane-2D-skeletal.svg
	\| ImageSize=
			\| ImageSize = 140px
	\| ImageFile2=Cholesterol-3d.png
			\| ImageName = Isopentane
	\| IUPACName=(3β)-cholest-5-en-3-ol
			\| ImageFile1 = Isopentane-3D-balls.png
	\| OtherNames=(10''R'',13''R'')-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1''H''-cyclopentaphenanthren-3-ol
			\| ImageSize1 = 140px
⚫	\| Section1= {{Chembox Identifiers
			\| ImageName1 = Isopentane
⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| IUPACName = 2-Methylbutane
⚫	\| UNII = ~~97C5T2UQ7J~~
			\| OtherNames = Methylbutane
	\| InChI = 1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
		⚫	\| Section1 = {{Chembox Identifiers
	\| InChIKey = HVYWMOMLDIMFJA-DPAQBDIFBB
	\| ~~ChEMBL_Ref~~ = {{ebicite\|correct\|EBI}}		\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ~~ChEMBL~~ = ~~112570~~		\| ChEBI = 30362
			\| SMILES = CC(C)CC
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 6308
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
		⚫	\| UNII = ZH67814I0O
			\| InChI = 1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
			\| InChIKey = QWTDNUCVQCZILF-UHFFFAOYAE
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
	\| StdInChI = 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~HVYWMOMLDIMFJA~~-~~DPAQBDIFSA~~-N		\| StdInChIKey = QWTDNUCVQCZILF-UHFFFAOYSA-N
	\| CASNo=57-88-5		\| CASNo = 78-78-4
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| RTECS = EK4430000
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~5775~~
	\| PubChem=5997
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = D00040
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ChEBI = 16113
	\| SMILES = C(CCCC(C)C)1CC21(CC32CC=C43(CC(C4)O)C)C
⚫	}}
⚫	\| ~~Section2~~= {{Chembox ~~Properties~~
⚫	\| Formula=C<sub>27</sub>H<sub>46</sub>O
⚫	\| MolarMass=~~386~~.65 g/mol
	\| Appearance= white crystalline powder<ref name=MSDS>{{cite web \|url=http://physchem.ox.ac.uk/MSDS/CH/cholesterol.html \|title=Safety (MSDS) data for cholesterol \|accessdate=2007-10-20 \|work=}}</ref>
	\| Density= 1.052 g/cm<sup>3</sup>
⚫	\| MeltingPt=~~148–150~~ °C<ref name=~~MSDS~~/>
	\| BoilingPt=360 °C (decomposes)
	\| Solubility=0.095 mg/L (30 °C)
	\| SolubleOther = soluble in ], ], ], ], ], ], ], ]
	}}		}}
	\| ~~Section7~~= {{Chembox ~~Hazards~~		\| Section2 = {{Chembox Properties
		⚫	\| Formula = C<sub>5</sub>H<sub>12</sub>
	\| MainHazards=
		⚫	\| MolarMass = 72.15 g/mol
⚫	\| ~~FlashPt~~=
			\| Appearance = colorless liquid
⚫	\| Autoignition=
			\| Density = 0.616 g/ml, liquid<ref name="Wei"/>
			\| Solubility = Immiscible
		⚫	\| MeltingPt = −159.9 °C (113.3 K)<ref name="Wei"/>
			\| BoilingPt = 27.7 °C (300.9 K)<ref name="Wei">
			James Wei (1999), ''Molecular Symmetry, Rotational Entropy, and Elevated Melting Points''. Ind. Eng. Chem. Res., volume 38 issue 12, pp. 5019–5027 {{doi:10.1021/ie990588m}}
			</ref>
		⚫	}}
			\| Section4 = {{Chembox Thermochemistry
			\| DeltaHf = −179 kJ/mol
			\| DeltaHc = −3504 kJ/mol
			\| Entropy = 260.7 J·K<sup>−1</sup>·mol<sup>−1</sup>
			}}
		⚫	\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| EUClass = Highly flammable ('''F+''')<br />Harmful ('''Xn''')<br />Dangerous for<br />the environment ('''N''')
			\| NFPA-H = 1
			\| NFPA-F = 4
		⚫	\| NFPA-R =
			\| RPhrases = {{R12}}, {{R51/53}}, {{R65}},<br />{{R66}}, {{R67}}
			\| SPhrases = {{S2}}, {{S9}}, {{S16}}, {{S29}},<br />{{S33}}, {{S61}}, {{S62}}
			\| FlashPt = <−51 °C
		⚫	\| Autoignition = 420 °C
			\| ExploLimits = 1.4–7.6%
			}}
			\| Section8 = {{Chembox Related
			\| Function = ]
			\| OtherFunctn = ]<br />]<br />]
			\| OtherCpds = ]<br />]
	}}		}}
	}}		}}

Revision as of 15:14, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464377212 of page Isopentane with values updated to verified values.

Isopentane
Names
Isopentane
Isopentane
IUPAC name 2-Methylbutane
Other names Methylbutane
Identifiers
CAS Number	78-78-4
3D model (JSmol)	Interactive image
ChEBI	CHEBI:30362
ChemSpider	6308
RTECS number	EK4430000
UNII	ZH67814I0O
InChI InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3Key: QWTDNUCVQCZILF-UHFFFAOYSA-N InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3Key: QWTDNUCVQCZILF-UHFFFAOYAE
SMILES CC(C)CC
Properties
Chemical formula	C₅H₁₂
Molar mass	72.15 g/mol
Appearance	colorless liquid
Density	0.616 g/ml, liquid
Melting point	−159.9 °C (113.3 K)
Boiling point	27.7 °C (300.9 K)
Solubility in water	Immiscible
Thermochemistry
Std molar entropy (S₂₉₈)	260.7 J·K·mol
Std enthalpy of formation (Δ_fH₂₉₈)	−179 kJ/mol
Std enthalpy of combustion (Δ_cH₂₉₈)	−3504 kJ/mol
Hazards
NFPA 704 (fire diamond)	1 4
Flash point	<−51 °C
Explosive limits	1.4–7.6%
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

Tracking categories (test):

SizeSet

Chemical compound

^ James Wei (1999), Molecular Symmetry, Rotational Entropy, and Elevated Melting Points. Ind. Eng. Chem. Res., volume 38 issue 12, pp. 5019–5027 {{doi:10.1021/ie990588m}}