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

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Revision as of 14:28, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457643908 of page 1-Hexacosanol for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 14:29, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 461829230 of page 1-Hexanol 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
	\| Verifiedfields = changed		\| Verifiedfields = changed
			\| Watchedfields = changed
	\| verifiedrevid = ~~457642875~~		\| verifiedrevid = 457304985
	\|ImageFile=Hexacosanol.png
			\| ImageFileL1 = Hexan-1-ol-2D-skeletal.png
	\|ImageSize=200px
			\| ImageFileL1_Ref = {{chemboximage\|correct\|??}}
	\|IUPACName=hexacosan-1-ol
			\| ImageNameL1 = Skeletal formula of 1-hexanol
	\|OtherNames=
			\| ImageFileR1 = Hexan-1-ol-3D-vdW.png
⚫	\|Section1={{Chembox Identifiers
	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}		\| ImageFileR1_Ref = {{chemboximage\|correct\|??}}
			\| ImageNameR1 = Spacefill formula of 1-hexanol
	\| KEGG = C08381
			\| IUPACName = Hexan-1-ol<ref>{{Cite web\|title = 1-hexanol - Compound Summary\|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8103&loc=ec_rcs\|work = PubChem Compound\|publisher = National Center for Biotechnology Information\|accessdate = 8 October 2011\|location = USA\|date = 26 March 2005\|at = Identification and Related Records}}</ref>
	\| InChI = 1/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3
		⚫	\| Section1 = {{Chembox Identifiers
	\| InChIKey = IRHTZOCLLONTOC-UHFFFAOYAD
			\| CASNo = 111-27-3
⚫	\| StdInChI_Ref = {{stdinchicite\|~~correct~~\|chemspider}}
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| StdInChI = 1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3
		⚫	\| PubChem = 8103
⚫	\| StdInChIKey_Ref = {{stdinchicite\|~~correct~~\|chemspider}}
			\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
⚫	\| StdInChIKey = ~~IRHTZOCLLONTOC~~-UHFFFAOYSA-N
		⚫	\| ChemSpiderID = 7812
⚫	\| CASNo_Ref = {{cascite\|~~changed~~\|??}}
	\| CASNo = <!-- blanked - oldvalue: 506-52-5 -->
⚫	\| PubChem=~~68171~~
	\| SMILES = OCCCCCCCCCCCCCCCCCCCCCCCCCC
	\| MeSHName=1-hexacosanol
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII = 6CP2QER8GS
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| ~~UNII~~ = ~~M7SD300NNB~~		\| EINECS = 203-852-3
			\| UNNumber = 2282
⚫	\| ~~ChEBI_Ref~~ = {{ebicite\|~~correct~~\|EBI}}
	\| ~~ChEBI~~ = ~~28415~~		\| MeSHName = 1-Hexanol
			\| ChEMBL = 14085
⚫	\| ChemSpiderID=~~61478~~
		⚫	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
⚫	}}
			\| RTECS = MQ4025000
⚫	\|Section2={{Chembox Properties
			\| Beilstein = 969167
	\| Formula=C<sub>26</sub>H<sub>54</sub>O
			\| SMILES = CCCCCCO
	\| MolarMass=382.71 g/mol
			\| StdInChI = 1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
	\| Appearance=
		⚫	\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
	\| Density=
		⚫	\| StdInChIKey = ZSIAUFGUXNUGDI-UHFFFAOYSA-N
	\| MeltingPt=
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
	\| BoilingPt=
		⚫	}}
	\| Solubility=
		⚫	\| Section2 = {{Chembox Properties
⚫	}}
			\| C = 6
⚫	\|~~Section3~~={{Chembox Hazards
	\| ~~MainHazards~~=		\| H = 14
	\| ~~FlashPt~~=		\| O = 1
			\| ExactMass = 102.104465070 g mol<sup>−1</sup>
⚫	\| Autoignition=
			\| Density = 813.6 mg cm<sup>−3</sup>
⚫	}}
			\| MeltingPtKL = 220
			\| MeltingPtKH = 232
			\| BoilingPtKL = 428
			\| BoilingPtKH = 432
			\| Solubility = 5.9 g dm<sup>−3</sup> (at 20 ºC)
			\| LogP = 1.858
			\| VaporPressure = 100 Pa (at 25.6 ºC)
			\| RefractIndex = 1.4178 (at 20 ºC)
		⚫	}}
			\| Section3 = {{Chembox Thermochemistry
			\| DeltaHf = −377.5 kJ mol<sup>−1</sup>
			\| DeltaHc = −3.98437 MJ mol<sup>−1</sup>
			\| Entropy = 287.4 J K<sup>−1</sup> mol<sup>−1</sup>
			\| HeatCapacity = 243.2 J K<sup>−1</sup> mol<sup>−1</sup>
		⚫	}}
		⚫	\| Section4 = {{Chembox Hazards
			\| ExternalMSDS =
			\| GHSPictograms = {{GHS exclamation mark}}
			\| GHSSignalWord = '''WARNING'''
			\| HPhrases = {{H-phrases\|302}}
			\| EUIndex = 603-059-00-6
			\| EUClass = {{Hazchem Xn}}
			\| RPhrases = {{R22}}
			\| SPhrases = {{S2}}, {{S24/25}}
			\| NFPA-H = 1
			\| NFPA-F = 2
			\| NFPA-R = 0
			\| FlashPt = 59 °C
		⚫	\| Autoignition = 293 ºC
			}}
	}}		}}

Revision as of 14:29, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 461829230 of page 1-Hexanol with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

Skeletal formula of 1-hexanol

Spacefill formula of 1-hexanol

Names

IUPAC name Hexan-1-ol

Identifiers

CAS Number

111-27-3

3D model (JSmol)

Interactive image

Beilstein Reference

969167

ChEMBL

ChEMBL14085

ChemSpider

7812

EC Number

203-852-3

MeSH

1-Hexanol

PubChem CID

8103

RTECS number

MQ4025000

UNII

6CP2QER8GS

UN number

2282

InChI

InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3Key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N

SMILES

CCCCCCO

Properties

C₆H₁₄O

102.177 g·mol

813.6 mg cm

5.9 g dm (at 20 ºC)

1.858

100 Pa (at 25.6 ºC)

Refractive index (n_D)

1.4178 (at 20 ºC)

Thermochemistry

Heat capacity (C)

243.2 J K mol

Std molar
entropy (S₂₉₈)

287.4 J K mol

Std enthalpy of
formation (Δ_fH₂₉₈)

−377.5 kJ mol

Std enthalpy of
combustion (Δ_cH₂₉₈)

−3.98437 MJ mol

Hazards

GHS labelling:

Pictograms

Signal word

Warning

Hazard statements

H302

NFPA 704 (fire diamond)

1 2 0

Flash point

59 °C

Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa).

N verify (what is ?) Infobox references

Chemical compound

"1-hexanol - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 8 October 2011.