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Revision as of 18:00, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465224140 of page 3-Pentanol for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 18:01, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465357996 of page 3-Pentanone 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 = 407465491 | verifiedrevid = 443349552
| Name = 3-pentanol | Name = 3-Pentanone
| ImageFile = Pentan-3-ol-2D-skeletal.png | ImageFile = 3-Pentanone.png
| ImageSize =
| ImageName = | ImageSize = 140px
| ImageName = Skeletal formula of 3-pentanone
⚫ | IUPACName = 3-Pentanol
| ImageFile1 = 3-Pentanone-3D-balls.png
| OtherNames = pentan-3-ol
| ImageSize1 = 160px
| Reference = <ref name="hand">
| ImageName1 = Ball-and-stick model of 3-pentanone
{{Citation
| ImageName = 3-Pentanone
| last = Lide
⚫ | IUPACName = Pentan-3-one
| first = David R.
| OtherNames = diethyl ketone, diethylketone, 3-pentanone, dimethyl acetone, propione, DEK, metacetone, methacetone
| 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 = 3-454, 5-42, 8-102, 15-23
| url =
| accessdate =
}}</ref>
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 7016
⚫ | InChI = 1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
| InChIKey = FDPIMTJIUBPUKL-UHFFFAOYAJ
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 47100 | ChEMBL = 45315
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3 | StdInChI = 1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = AQIXEPGDORPWBJ-UHFFFAOYSA-N | StdInChIKey = FDPIMTJIUBPUKL-UHFFFAOYSA-N
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 584-02-1 | CASNo = 96-22-0
⚫ | CASNo_Ref = {{cascite|correct|CAS}}=
| UNII_Ref = {{fdacite|correct|FDA}}
| RTECS =
| EINECS = | UNII = 9SLZ98M9NK
| PubChem = 11428 | SMILES = O=C(CC)CC
⚫ }}
| SMILES = OC(CC)CC
⚫ | InChI = 1/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
| InChIKey = AQIXEPGDORPWBJ-UHFFFAOYAU
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 10947
|
⚫ }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=5|H=10|O=1
| Formula = C<sub>5</sub>H<sub>12</sub>O
| MolarMass = 88.148 g/mol | Density = 0.815 g/cm³
| Appearance = colorless liquid | MeltingPtC = -39
| Density = 0.815 g/ml | BoilingPt = 100–102&nbsp;°C
| MeltingPtC = -63.68 | Solvent = other solvents
| SolubleOther = water: 50 g/L (20&nbsp;°C)
| BoilingPtC = 115.3
| Solubility = 59 g/L | Odor = Acetone-like

| 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 | Section7 = {{Chembox Hazards
⚫ | Autoignition = 425&nbsp;°C
| ExternalMSDS =
⚫ }}
| EUIndex =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| RPhrases =
| SPhrases =
| FlashPt = 41&nbsp;°C
⚫ | Autoignition = 435&nbsp;°C
| ExploLimits = 1.2 – 9%
| LD50 =
}}
| Section8 = {{Chembox Related
| OtherCpds =
}}
}} }}

Revision as of 18:01, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465357996 of page 3-Pentanone with values updated to verified values.
3-Pentanone
3-Pentanone
Ball-and-stick model of 3-pentanone
Names
IUPAC name Pentan-3-one
Other names diethyl ketone, diethylketone, 3-pentanone, dimethyl acetone, propione, DEK, metacetone, methacetone
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
UNII
InChI
  • InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3Key: FDPIMTJIUBPUKL-UHFFFAOYSA-N
  • InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3Key: FDPIMTJIUBPUKL-UHFFFAOYAJ
SMILES
  • O=C(CC)CC
Properties
Chemical formula C5H10O
Molar mass 86.134 g·mol
Odor Acetone-like
Density 0.815 g/cm³
Melting point −39 °C (−38 °F; 234 K)
Boiling point 100–102 °C
Solubility in other solvents water: 50 g/L (20 °C)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound