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Revision as of 18:00, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{chembox}} taken from revid 443946885 of page 3-Oxopentanoic_acid for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 18:00, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{chembox}} taken from revid 465224140 of page 3-Pentanol 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 = ~~443350739~~		\| verifiedrevid = 407465491
			\| Name = 3-pentanol
	\|ImageFile=3-oxopentanoic acid.png
			\| ImageFile = Pentan-3-ol-2D-skeletal.png
	\|ImageSize=200px
			\| ImageSize =
	\|IUPACName=3-Oxopentanoic acid
			\| ImageName =
	\|OtherNames=beta-Ketopentanoate<br>3-Oxopentanoate<br>3-Oxovaleric acid<br>3-Ketovaleric acid
			\| IUPACName = 3-Pentanol
	\|Section1={{Chembox Identifiers
			\| OtherNames = pentan-3-ol
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| Reference = <ref name="hand">
	\| ChemSpiderID = 388751
			{{Citation
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ~~KEGG~~ = ~~C02233~~		\| last = Lide
			\| first = David R.
	\| InChI = 1/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)
			\| author-link =
	\| SMILES1 = O=C(CC)CC(=O)O
			\| last2 =
	\| InChIKey = FHSUFDYFOHSYHI-UHFFFAOYAQ
			\| first2 =
			\| author2-link =
			\| publication-date =
			\| date =
			\| year = 1998
			\| title = Handbook of Chemistry and Physics
			\| edition = 87
			\| volume =
			\| series =
			\| publication-place = Boca Raton, FL
			\| place =
			\| publisher = CRC Press
			\| id =
			\| isbn = 0-8493-0594-2
			\| doi =
			\| oclc =
			\| pages = 3-454, 5-42, 8-102, 15-23
			\| url =
			\| accessdate =
			}}</ref>
			\| Section1 = {{Chembox Identifiers
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 47100
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C5H8O3~~/c1-2-4(6)3-~~5(7)8~~/h2-~~3H2~~,~~1H3~~,~~(H,7,8)~~		\| StdInChI = 1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~FHSUFDYFOHSYHI~~-UHFFFAOYSA-N		\| StdInChIKey = AQIXEPGDORPWBJ-UHFFFAOYSA-N
	\| CASNo = <!-- ~~blanked - oldvalue: 10191-25-0 -->~~		\| CASNo = 584-02-1
			\| CASNo_Ref = {{cascite\|correct\|CAS}}=
	\| PubChem=439684
			\| RTECS =
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ~~ChEBI~~ = ~~27401~~		\| EINECS =
			\| PubChem = 11428
	\| SMILES=CCC(=O)CC(=O)O
			\| SMILES = OC(CC)CC
	}}
			\| InChI = 1/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
	\|Section2={{Chembox Properties
			\| InChIKey = AQIXEPGDORPWBJ-UHFFFAOYAU
	\| Formula=C<sub>5</sub>H<sub>8</sub>O<sub>3</sub>
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| MolarMass=116.12 g/mol
			\| ChemSpiderID = 10947
	\| Appearance=
	\| ~~Density=~~		\|
			}}
	\| MeltingPt=
			\| Section2 = {{Chembox Properties
	\| BoilingPt=
			\| Formula = C<sub>5</sub>H<sub>12</sub>O
	\| Solubility=
			\| MolarMass = 88.148 g/mol
	}}
			\| Appearance = colorless liquid
	\|Section3={{Chembox Hazards
			\| Density = 0.815 g/ml
	\| MainHazards=
			\| MeltingPtC = -63.68
	\| FlashPt=
			\| BoilingPtC = 115.3
	\| Autoignition=
			\| Solubility = 59 g/L
			\| SolubleOther = soluble in ], ]; very soluble in ], ]
			\| VaporPressure = 1.10 ]
			}}
			\| Section3 = {{Chembox Structure
			\| Coordination =
			\| CrystalStruct =
			}}
			\| Section4 = {{Chembox Thermochemistry
			\| DeltaHf = -368.9 ] (liquid) <br/> -314.9 ] (gas)
			\| DeltaHc =
			\| Entropy =
			\| HeatCapacity = 2.719 J·g<sup>-1</sup>·K<sup>-1</sup>
	}}		}}
			\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| EUIndex =
			\| NFPA-H =
			\| NFPA-F =
			\| NFPA-R =
			\| RPhrases =
			\| SPhrases =
			\| FlashPt = 41 °C
			\| Autoignition = 435 °C
			\| ExploLimits = 1.2 – 9%
			\| LD50 =
			}}
			\| Section8 = {{Chembox Related
			\| OtherCpds =
			}}
	}}		}}

Revision as of 18:00, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465224140 of page 3-Pentanol with values updated to verified values.

3-pentanol
Names

IUPAC name 3-Pentanol
Other names pentan-3-ol
Identifiers
CAS Number	584-02-1=
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL47100
ChemSpider	10947
PubChem CID	11428
InChI InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3Key: AQIXEPGDORPWBJ-UHFFFAOYSA-N InChI=1/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3Key: AQIXEPGDORPWBJ-UHFFFAOYAU
SMILES OC(CC)CC
Properties
Chemical formula	C₅H₁₂O
Molar mass	88.148 g/mol
Appearance	colorless liquid
Density	0.815 g/ml
Melting point	−63.68 °C (−82.62 °F; 209.47 K)
Boiling point	115.3 °C (239.5 °F; 388.4 K)
Solubility in water	59 g/L
Solubility	soluble in acetone, benzene; very soluble in ethanol, diethyl ether
Vapor pressure	1.10 kPa
Thermochemistry
Heat capacity (C)	2.719 J·g·K
Std enthalpy of formation (Δ_fH₂₉₈)	-368.9 kJ·mol (liquid) -314.9 kJ·mol (gas)
Hazards
Flash point	41 °C
Explosive limits	1.2 – 9%
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

Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, FL: CRC Press, pp. 3–454, 5–42, 8–102, 15–23, ISBN 0-8493-0594-2