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

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Revision as of 14:18, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 445155378 of page Trioctylphosphine_oxide for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 14:19, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444237826 of page Triolein 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 = ~~413980168~~		\| verifiedrevid = 444236806
	\| ImageFile = ~~Trioctylphosphine oxide~~.~~png~~		\| ImageFile = Triolein.PNG
		⚫	\| ImageSize =
⚫	\| ~~ImageFile_Ref~~ = {{~~Chemboximage~~\|correct\|??}}
			\| IUPACName = 2,3-Bis<nowiki>oxy]propyl (''Z'')-octadec-9-enoate
⚫	\| ImageSize = ~~244~~
			\| OtherNames =
	\| ImageName = Structural formula of trioctylphosphine oxide
	\| IUPACName = Trioctyl-λ<sup>5</sup>-phosphanone
	\| OtherNames = Tri-''n''-octylphosphine oxide
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}= {{chemspidercite\|correct\|chemspider}}= {{chemspidercite\|correct\|chemspider}}
	\| Abbreviations = TOPO
	\| ~~CASNo~~ = ~~78-50-2~~		\| ChemSpiderID = 4593733
			\| InChI = 1/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| InChIKey = PHYFQTYBJUILEZ-IUPFWZBJBN
⚫	\| PubChem = ~~65577~~
	\| ~~PubChem_Ref~~ = {{~~Pubchemcite~~\|correct\|~~PubChem~~}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = O05EC62663
	\| ChemSpiderID = 59020
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
	\| EINECS = 201-121-3
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| UNNumber = 3077
		⚫	\| StdInChIKey = PHYFQTYBJUILEZ-IUPFWZBJSA-N
	\| MeSHName = Trioctyl+phosphine+oxide
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| RTECS = SZ1662500
	\| ~~Beilstein~~ = ~~1796648~~		\| CASNo = 122-32-7
		⚫	\| PubChem = 5497163
	\| SMILES = CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| StdInChI = 1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
			\| ChEBI = 53753
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| SMILES = O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCCCC
	\| InChI = 1/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
			\| MeSHName = Triolein
⚫	\| StdInChIKey = ~~ZMBHCYHQLYEYDV~~-~~UHFFFAOYSA~~-N
		⚫	}}
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| InChIKey = ZMBHCYHQLYEYDV-UHFFFAOYAY
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Formula = C<sub>57</sub>H<sub>104</sub>O<sub>6</sub>
	\| C = 24
	\| H = 51		\| MolarMass = 885.432 g/mol
		⚫	\| Appearance = colourless viscous liquid
	\| O = 1
		⚫	\| Density =0.95 g/cm<sup>3</sup>
	\| P = 1
			\| MeltingPtK = 278
⚫	\| ~~ExactMass~~ = ~~386~~.~~367752766~~ g ~~mol~~<sup>-1</sup>
			\| BoilingPtK = 827.4
⚫	\| Appearance = ~~White,~~ ~~opaque~~ ~~crystals~~
		⚫	}}
	\| MeltingPtCL = 50
	\| MeltingPtCH = 54
	\| BoilingPtC = 238
	\| Boiling_notes = at 3 mmHg
⚫	}}
	\| Section3 = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
			\| Solubility =
	\| EUClass = {{Hazchem Xi}}
			\| SolubleOther = chloroform 0.1g/ml
	\| RPhrases = {{R38}}, {{R41}}
			\| MainHazards =
	\| SPhrases = {{S26}}, {{S39}}
	\| ~~NFPA-H~~ = 3		\| FlashPt = 302.6°C
	\| ~~NFPA-F~~ = 1		\| Autoignition =
		⚫	}}
	\| NFPA-R = 0
			<!-- This data needs to be formatted properly
	\| FlashPt = 110 °C
			\| Section4 = {{Chembox Thermochemistry
⚫	}}
			\| T<sub>c</sub> = 977.8 K
			\| P<sub>c</sub> = 3.34 bar
			\| V<sub>c</sub> = 3.250 m<sup>3</sup>/kmol
			\| G<sub>f</sub> = -1.8*10<sup>5</sup> kJ/kmol
			\| H<sub>f</sub> = 1.97*10<sup>5</sup> kJ/kmol
			\| H<sub>v</sub> = 3.02*10<sup>5</sup> kJ/kmol
			}} -->
	}}		}}

Revision as of 14:19, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 444237826 of page Triolein with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 2,3-Bisoxy]propyl (Z)-octadec-9-enoate
Identifiers
CAS Number	122-32-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:53753
ChemSpider	4593733= =
MeSH	Triolein
PubChem CID	5497163
UNII	O05EC62663
InChI InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-Key: PHYFQTYBJUILEZ-IUPFWZBJSA-N InChI=1/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-Key: PHYFQTYBJUILEZ-IUPFWZBJBN
SMILES O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCCCC
Properties
Chemical formula	C₅₇H₁₀₄O₆
Molar mass	885.432 g/mol
Appearance	colourless viscous liquid
Density	0.95 g/cm
Melting point	5 °C; 41 °F; 278 K
Boiling point	554.2 °C; 1,029.6 °F; 827.4 K
Hazards
Flash point	302.6°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