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Revision as of 18:17, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 408393026 of page 4-Methyl-2,5-methoxyphenylcyclopropylamine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 18:18, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465068299 of page 4-Methyl-2-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
			\| Watchedfields = changed
	\| verifiedrevid = ~~408391714~~		\| verifiedrevid = 413272674
	\| ImageFile1 = DMCPA.png
			\| Name = 4-Methyl-2-pentanol
	\| ImageSize1 = 200px
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| ImageFile2 = DMCPA-3d-sticks.png
			\| ImageFile = 4-methyl-2-pentanol.PNG
	\| ImageSize2 = 200px
			\| ImageSize =
	\| IUPACName = 2-(2,5-Dimethoxy-4-methylphenyl)cyclopropanamine
	\| ~~OtherNames~~ =		\| ImageName =
			\| IUPACName = 4-Methyl-2-pentanol
			\| OtherNames = 4-Methylpentan-2-ol, Methyl isobutyl carbinol, MIBC, Isobutyl methyl carbinol, 2-Methyl-4-pentanol, 4-methylpentane-2-ol, 1,3-Dimethylbutanol, Methyl amyl alcohol, Isobutyl methyl methanol
			\| Reference = <ref name="hand">
			{{Citation
			\| last = Lide
			\| first = David R.
			\| author-link =
			\| last2 =
			\| 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 = 3-398, 5-47, 8-106, 15-22, 16-24
			\| url =
			\| accessdate =
			}}</ref>
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~2285590~~		\| ChemSpiderID = 7622
	\| InChI = 1/~~C12H17NO2~~/c1-7-4-12(~~15-~~3)~~9(6-11(~~7~~)14~~-~~2)8-5-10(8)13/h4,6,8,10H,5~~,~~13H2~~,1-3H3		\| InChI = 1/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
		⚫	\| SMILES = OC(C)CC(C)C
	\| InChIKey = HYVPPECPQRBJEQ-UHFFFAOYAN
			\| InChIKey = WVYWICLMDOOCFB-UHFFFAOYAI
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~13530~~		\| ChEMBL = 448896
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C12H17NO2~~/c1-7-4-12(~~15-~~3)~~9(6-11(~~7~~)14~~-~~2)8-5-10(8)13/h4,6,8,10H,5~~,~~13H2~~,1-3H3		\| StdInChI = 1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~HYVPPECPQRBJEQ~~-UHFFFAOYSA-N		\| StdInChIKey = WVYWICLMDOOCFB-UHFFFAOYSA-N
	\| CASNo = <!-- ~~blanked - oldvalue: 69854-49-5 -->~~		\| CASNo = 108-11-2
			\| CASNo_Ref = {{cascite\|correct\|CAS}}=
⚫	\| PubChem = ~~3017965~~
		⚫	\| RTECS =
⚫	\| SMILES = O(~~c1c(cc(OC~~)c(~~c1)C2CC2N)~~C)C
			\| EINECS =
⚫	}}
		⚫	\| PubChem =
		⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula = C<sub>12</sub>H<sub>~~17</sub>NO<sub>2~~</sub>		\| Formula = C<sub>6</sub>H<sub>14</sub>O
	\| MolarMass = ~~207~~.27 g/mol		\| MolarMass = 102.174 g/mol
	\| Appearance =		\| Appearance = colorless liquid
	\| Density =		\| Density = 0.8075 g/cm<sup>3</sup> at 20 °C
	\| ~~MeltingPt~~ =		\| Solubility = 15 g/L
			\| SolubleOther = soluble in ], ]
⚫	\| BoilingPt =
			\| MeltingPt = −90 °C
	\| Solubility = }}
		⚫	\| BoilingPt = 131.6 °C
⚫	\| ~~Section3~~ = {{Chembox Hazards
			\| Viscosity = 4.07 mPa·s
	\| MainHazards =
			\| VaporPressure = 0.698 ]
⚫	\| ~~FlashPt~~ =
			}}
⚫	\| Autoignition = }}
			\| Section3 = {{Chembox Structure
			\| Coordination =
			\| CrystalStruct =
			}}
			\| Section4 = {{Chembox Thermochemistry
			\| DeltaHf = -394.7 ] (liquid)
			\| DeltaHc =
			\| Entropy =
			\| HeatCapacity = 273.0 J·mol<sup>-1</sup>·K<sup>-1</sup> (liquid)
			}}
		⚫	\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| EUIndex =
			\| NFPA-H =
			\| NFPA-F =
			\| NFPA-R =
			\| RPhrases =
			\| SPhrases =
			\| FlashPt = 41 °C
		⚫	\| Autoignition = 1 — 5.5%
			\| ExploLimits =
			\| LD50 =
			}}
			\| Section8 = {{Chembox Related
			\| OtherCpds = ]
			}}
	}}		}}

Revision as of 18:18, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465068299 of page 4-Methyl-2-pentanol with values updated to verified values.

4-Methyl-2-pentanol
Names

IUPAC name 4-Methyl-2-pentanol
Other names 4-Methylpentan-2-ol, Methyl isobutyl carbinol, MIBC, Isobutyl methyl carbinol, 2-Methyl-4-pentanol, 4-methylpentane-2-ol, 1,3-Dimethylbutanol, Methyl amyl alcohol, Isobutyl methyl methanol
Identifiers
CAS Number	108-11-2=
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL448896
ChemSpider	7622
InChI InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3Key: WVYWICLMDOOCFB-UHFFFAOYSA-N InChI=1/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3Key: WVYWICLMDOOCFB-UHFFFAOYAI
SMILES OC(C)CC(C)C
Properties
Chemical formula	C₆H₁₄O
Molar mass	102.174 g/mol
Appearance	colorless liquid
Density	0.8075 g/cm at 20 °C
Melting point	−90 °C
Boiling point	131.6 °C
Solubility in water	15 g/L
Solubility	soluble in ethanol, diethyl ether
Vapor pressure	0.698 kPa
Viscosity	4.07 mPa·s
Thermochemistry
Heat capacity (C)	273.0 J·mol·K (liquid)
Std enthalpy of formation (Δ_fH₂₉₈)	-394.7 kJ·mol (liquid)
Hazards
Flash point	41 °C
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

Chemical compound

Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, FL: CRC Press, pp. 3–398, 5–47, 8–106, 15–22, 16–24, ISBN 0-8493-0594-2