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

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Revision as of 16:27, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465715812 of page 1,4-Butynediol for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 16:28, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 462636280 of page 1,4-Cyclohexadiene 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
	\| Watchedfields = changed		\| Watchedfields = changed
	\| verifiedrevid = ~~444003443~~		\| verifiedrevid = 442961842
	\| ~~Name~~ = 1,4-~~Butynediol~~		\| ImageFile = 1-4-cyclohexadiene.png
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| Reference =<ref></ref>
			\| ImageName = Skeletal formula with all implicit hydrogen shown, skeletal formula; stereo, skeletal formula with all explicit hydrogens added, all of 1,4-cyclohexadiene
	\| ImageFile = Butynediol.png
			\| SystematicName = Cyclohexa-1,4-diene<ref>{{Cite web\|title = 1,4-cyclohexadiene - Compound Summary\|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12343&loc=ec_rcs\|work = PubChem Compound\|publisher = National Center for Biotechnology Information\|accessdate = 12 October 2011\|location = USA\|date = 27 March 2005\|at = Identification and Related Records}}</ref>
	\| ImageSize = 150px
			\| OtherNames = 1,4-Cyclohexadiene{{Citation needed\|date = October 2011}}<br />
	\| ImageName = 1,4-Butynediol
			1,4-Dihydrobenzene{{Citation needed\|date = October 2011}}<br />
	\| IUPACName = But-2-yne-1,4-diol
	\| OtherNames = Butynediol<br />2-Butyne-1,4-diol<br />1,4-Dihydroxy-2-butyne
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| Abbreviations = 1,4-CHDN
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| CASNo = 628-41-1
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
⚫	\| ChEBI = ~~16413~~
	\| ~~ChemSpiderID~~ = ~~7775~~		\| PubChem = 12343
	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}		\| PubChem_Ref = {{Pubchemcite\|correct\|Pubchem}}
	\| ~~KEGG~~ = ~~C02497~~		\| ChemSpiderID = 11838
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| InChI = 1/~~C4H6O2~~/~~c5-3-1~~-2-4-6/h5-6H,3-4H2
			\| EINECS = 211-043-1
	\| InChIKey = DLDJFQGPPSQZKI-UHFFFAOYAT
			\| UNNumber = 3295
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| MeSHName = 1,4-cyclohexadiene
⚫	\| StdInChI = 1S/~~C4H6O2~~/~~c5-3-1~~-2-4-6/h5-6H,3-4H2
		⚫	\| ChEBI = 37611
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	\| StdInChIKey = ~~DLDJFQGPPSQZKI~~-UHFFFAOYSA-N
			\| Beilstein = 1900733
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~CASNo~~ = ~~110-65-6~~		\| Gmelin = 1656
	\| SMILES = ~~OCC#CCO~~		\| SMILES = C1C=CCC=C1
		⚫	\| StdInChI = 1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
⚫	}}
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| InChI = 1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
		⚫	\| StdInChIKey = UVJHQYIOXKWHFD-UHFFFAOYSA-N
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| InChIKey = UVJHQYIOXKWHFD-UHFFFAOYAM
		⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
		⚫	\| C = 6
	\| Formula = C<sub>4</sub>H<sub>6</sub>O<sub>2</sub>
	\| ~~MolarMass~~ = ~~86.09 g/mol~~		\| H = 8
	\| ~~Density~~ = 1.2 g/~~cm³~~		\| ExactMass = 80.062600256 g mol<sup>-1</sup>
			\| Appearance = Colorless liquid
	\| MeltingPt = 52–55 °C
			\| Density = 847 mg cm<sup>-3</sup>
	\| BoilingPt = 238 °C
			\| MeltingPtK = 223
⚫	}}
			\| BoilingPtK = 355
⚫	\| ~~Section7~~ = {{Chembox Hazards
	\| ~~NFPA-H~~ = 2		\| RefractIndex = 1.472
		⚫	}}
⚫	\| ~~NFPA-F~~ = 1
			\| Section3 = {{Chembox Thermochemistry
⚫	\| NFPA-R = 0
			\| DeltaHf = 63.0-69.2 kJ mol<sup>-1</sup>
⚫	}}
			\| DeltaHc = -3573.5--3567.5 kJ mol<sup>-1</sup>
			\| Entropy = 189.37 J K<sup>-1</sup> mol<sup>-1</sup>
			\| HeatCapacity = 142.2 J K<sup>-1</sup> mol<sup>-1</sup>
		⚫	}}
		⚫	\| Section4 = {{Chembox Hazards
			\| GHSPictograms = {{GHS flame}} {{GHS health hazard}}
			\| GHSSignalWord = '''DANGER'''
			\| HPhrases = {{H-phrases\|225\|340\|350\|373}}
			\| PPhrases = {{P-phrases\|201\|210\|308+313}}
			\| EUClass = {{Hazchem F}} {{Hazchem T}}
			\| RPhrases = {{R45}} {{R46}} {{R11}} {{R48/20/21/22}}
			\| SPhrases = {{S53}} {{S45}}
			\| NFPA-F = 3
			\| NFPA-H = 2
		⚫	\| NFPA-R = 0
			\| FlashPt = -7 °C
			}}
	}}		}}

Revision as of 16:28, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 462636280 of page 1,4-Cyclohexadiene with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

Systematic IUPAC name Cyclohexa-1,4-diene
Other names 1,4-Cyclohexadiene 1,4-Dihydrobenzene
Identifiers
CAS Number	628-41-1
3D model (JSmol)	Interactive image
Abbreviations	1,4-CHDN
Beilstein Reference	1900733
ChEBI	CHEBI:37611
ChemSpider	11838
EC Number	211-043-1
Gmelin Reference	1656
MeSH	1,4-cyclohexadiene
PubChem CID	12343
UN number	3295
InChI InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2Key: UVJHQYIOXKWHFD-UHFFFAOYSA-N InChI=1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2Key: UVJHQYIOXKWHFD-UHFFFAOYAM
SMILES C1C=CCC=C1
Properties
Chemical formula	C₆H₈
Molar mass	80.130 g·mol
Appearance	Colorless liquid
Density	847 mg cm
Melting point	−50 °C; −58 °F; 223 K
Boiling point	82 °C; 179 °F; 355 K
Refractive index (n_D)	1.472
Thermochemistry
Heat capacity (C)	142.2 J K mol
Std molar entropy (S₂₉₈)	189.37 J K mol
Std enthalpy of formation (Δ_fH₂₉₈)	63.0-69.2 kJ mol
Std enthalpy of combustion (Δ_cH₂₉₈)	-3573.5--3567.5 kJ mol
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H340, H350, H373
Precautionary statements	P201, P210, P308+P313
NFPA 704 (fire diamond)	2 3 0
Flash point	-7 °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

Chemical compound

"1,4-cyclohexadiene - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 27 March 2005. Identification and Related Records. Retrieved 12 October 2011.