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

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Revision as of 13:48, 15 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 476905319 of page Citric_acid for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 13:48, 15 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 476395137 of page Sulfuric_acid 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 = 464362700
	\| Watchedfields = changed
			\| ImageFile = Sulfuric-acid-2D-dimensions.svg
⚫	\| verifiedrevid = ~~443676378~~
			\| ImageAlt = S=O bond length = 142.2 pm, <br>S-O bond length = 157.4 pm, <br>O-H bond length = 97 pm
	\| Name = Citric acid
		⚫	\| ImageFile1 = Sulfuric-acid-Givan-et-al-1999-3D-balls.png
	\| ImageFile = Zitronensäure - Citric acid.svg
			\| ImageSize1 = 160
⚫	\| ImageFile1 = ~~Citric~~-acid-3D-balls.png
			\| ImageFile3 = Sulphuric acid 96 percent extra pure.jpg
	\| ImageName = Citric acid
	\| IUPACName = ~~2-hydroxypropane-1,2,3-tricarboxylic~~ acid		\| IUPACName = Sulfuric acid
	\| OtherNames = ~~3-carboxy-3-hydroxypentanedioic~~ ~~acid~~		\| OtherNames = Oil of vitriol
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| PubChem = 311
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| ChemSpiderID = 1086
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~XF417D3PSL~~		\| UNII = O40UQP6WCF
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~D00037~~		\| KEGG = D05963
	\| InChI = 1/~~C6H8O7~~/c7-3(~~8)1-6(13~~,~~5(11~~)~~12)2-~~4(~~9)10/h13H~~,1~~-2H2~~,(H,7,~~8)(H,9,10)(H,11,12~~)		\| InChI = 1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
			\| InChIKey = QAOWNCQODCNURD-UHFFFAOYAC
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}		\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ChEBI = ~~30769~~		\| ChEBI = 26836
		⚫	\| SMILES = OS(=O)(=O)O
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB04272
⚫	\| SMILES = ~~C(C~~(=O)~~O)C(CC~~(=~~O)O)(C(=O)~~O)O
	\| InChIKey = KRKNYBCHXYNGOX-UHFFFAOYAM
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~1261~~		\| ChEMBL = 572964
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C6H8O7~~/c7-3(~~8)1-6(13~~,~~5(11~~)~~12)2-~~4(~~9)10/h13H~~,1~~-2H2~~,(H,7,~~8)(H,9,10)(H,11,12~~)		\| StdInChI = 1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~KRKNYBCHXYNGOX~~-UHFFFAOYSA-N		\| StdInChIKey = QAOWNCQODCNURD-UHFFFAOYSA-N
	\| CASNo = 77-92-9		\| CASNo = 7664-93-9
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| RTECS = WS5600000
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| EINECS = 231-639-5
	\| ChemSpiderID = 305
	\| ~~RTECS~~ =		\| UNNumber = 1830
		⚫	}}
	\| ATCCode_prefix = A09
	\| ATCCode_suffix = AB04
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula = ~~C<sub>6</sub>~~H~~<sub>8</sub>O<sub>7</sub>~~		\| Formula = {{chem\|H\|2}}{{chem\|\|SO\|4}}
	\| MolarMass = ~~192~~.~~124~~ g/mol ~~(anhydrous)<br />210.14 g/mol (monohydrate)~~		\| MolarMass = 98.079 g/mol
	\| Appearance = ~~crystalline~~ ~~white~~ ~~solid~~		\| Appearance = Clear, colorless, odorless liquid
	\| Density = 1.~~665~~ g/cm<sup>3</sup>~~(1.5g/cm<sup>3</sup> for~~ ~~monohydrate)~~		\| Density = 1.84 g/cm<sup>3</sup>, liquid
	\| Solubility = ~~73 g/100 ml (20 °C)~~		\| Solubility = miscible
	\| MeltingPtC = ~~153~~		\| MeltingPtC = 10
	\| BoilingPtC = ~~175~~		\| BoilingPtC = 337
			\| Viscosity = 26.7 ] (20 °C)
	\| Boiling_notes = decomposes
			\| pKa = −3, 1.99
	\| pKa = pK<sub>a1</sub> = 3.09<br />pK<sub>a2</sub> = 4.75<br />pK<sub>a3</sub> = 5.41 <ref>{{cite book \|last=Dawson \|first=R. M. C. \|last2=''et al.'' \|title=Data for Biochemical Research \|location=Oxford \|publisher=Clarendon Press \|year=1959 }}</ref><br />pK<sub>a3</sub> = 6.39,<ref>
		⚫	}}
	{{cite web \|url=http://www.zirchrom.com/organic.htm \|title=Data for Biochemical Research \|publisher=ZirChrom Separations, Inc \|accessdate=January 11, 2012}}</ref>6.40 <ref>
			\| Section4 = {{Chembox Thermochemistry
	{{cite web \|url=http://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/acidity2.htm \|title=Ionization Constants of Organic Acids \|publisher=Michigan State University \|accessdate=January 11, 2012}}</ref>
			\| DeltaHf = −814 kJ·mol<sup>−1</sup><ref name=b1>{{cite book\| author = Zumdahl, Steven S.\|title =Chemical Principles 6th Ed.\| publisher = Houghton Mifflin Company\| year = 2009\| isbn = 061894690X\|page=A23}}</ref>

			\| Entropy = 157 J·mol<sup>−1</sup>·K<sup>−1</sup><ref name=b1/>
⚫	}}
		⚫	}}
	\| Section7 = {{Chembox Hazards		\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
	\| MainHazards = skin and eye irritant
			\| EUIndex = 016-020-00-8
⚫	\| RPhrases =
			\| FlashPt = Non-flammable
	\| SPhrases =
			\| EUClass = {{Hazchem C}} {{Hazchem N}} {{Hazchem T}}
⚫	}}
			\| NFPA-H = 3
			\| NFPA-F = 0
			\| NFPA-R = 2
			\| NFPA-O = W
		⚫	\| RPhrases = {{R35}}
			\| SPhrases = {{S1/2}} {{S26}} {{S30}} {{S45}}
		⚫	}}
	\| Section8 = {{Chembox Related		\| Section8 = {{Chembox Related
			\| Function = ]s
	\| OtherCpds = ], ]
			\| OtherFunctn = ]<br/>]<br/>]
⚫	}}
			\| OtherCpds = ]<br/>]<br/>]<br/>]
			}}
	}}		}}

Revision as of 13:48, 15 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 476395137 of page Sulfuric_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names



IUPAC name Sulfuric acid
Other names Oil of vitriol
Identifiers
CAS Number	7664-93-9
3D model (JSmol)	Interactive image
ChEBI	CHEBI:26836
ChEMBL	ChEMBL572964
ChemSpider	1086
EC Number	231-639-5
KEGG	D05963
RTECS number	WS5600000
UNII	O40UQP6WCF
UN number	1830
InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)Key: QAOWNCQODCNURD-UHFFFAOYSA-N InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)Key: QAOWNCQODCNURD-UHFFFAOYAC
SMILES OS(=O)(=O)O
Properties
Chemical formula	H ₂SO ₄
Molar mass	98.079 g/mol
Appearance	Clear, colorless, odorless liquid
Density	1.84 g/cm, liquid
Melting point	10 °C (50 °F; 283 K)
Boiling point	337 °C (639 °F; 610 K)
Solubility in water	miscible
Acidity (pK_a)	−3, 1.99
Viscosity	26.7 cP (20 °C)
Thermochemistry
Std molar entropy (S₂₉₈)	157 J·mol·K
Std enthalpy of formation (Δ_fH₂₉₈)	−814 kJ·mol
Hazards
NFPA 704 (fire diamond)	3 0 2 W
Flash point	Non-flammable
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

^ Zumdahl, Steven S. (2009). Chemical Principles 6th Ed. Houghton Mifflin Company. p. A23. ISBN 061894690X.