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Revision as of 16:54, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457647162 of page 2,2,4,4-Tetramethyl-3-t-butyl-pentane-3-ol for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 16:54, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 475713283 of page 2,2,4-Trimethylpentane 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
| verifiedrevid = 457645772 | verifiedrevid = 457311527
| Name = 2,2,4,4-Tetramethyl-3-''t''-butyl-pentane-3-ol | Name = 2,2,4-Trimethylpentane
| ImageFile1=224Me3pentane.png
| ImageFileL1 = 2,2,4,4-Tetramethyl-3-t-butyl-pentane-3-ol.png
| ImageName1=Skeletal formula of 2,2,4-trimethylpentane
| ImageSizeL1 = 120px
| ImageSize1=180px
| ImageFileR1 = 2,2,4,4-Tetramethyl-3-t-butyl-pentane-3-ol 3D.png
| ImageFile2 = Isooctane-3D-balls.png
| ImageSizeR1 = 120px
| ImageSize2 = 200px
| IUPACName = 3-''tert''-Butyl-2,2,4,4-tetramethyl-pentan-3-ol
| ImageName2 = 2,2,4-Trimethylpentane
| OtherNames =
| IUPACName = 2,2,4-Trimethylpentane
| OtherNames = Isooctane, neopentylpropane (rare)
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | SMILES = CC(C)CC(C)(C)C
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 125760 | ChemSpiderID = 10445
| InChI = 1/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3 | InChI = 1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
| InChIKey = LIUBOLYWYDGCSJ-UHFFFAOYAS
| InChIKey = NHTMVDHEPJAVLT-UHFFFAOYAA
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| StdInChI = 1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3 | StdInChI = 1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
| StdInChIKey = LIUBOLYWYDGCSJ-UHFFFAOYSA-N | StdInChIKey = NHTMVDHEPJAVLT-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|changed|??}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = <!-- blanked - oldvalue: 41902-42-5 -->
| PubChem = 142558 | CASNo = 540-84-1
| RTECS = SA3320000
⚫ | SMILES = OC(C(C)(C)C)(C(C)(C)C)C(C)(C)C}}
}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=13|H=28|O=1 | C= 8 | H = 18
| Appearance = | Appearance = colorless liquid
| Density = | Density = 688 kg/m<sup>3</sup>, liquid
| Solubility = Immiscible
| MeltingPt =
| BoilingPt = | MeltingPtC = -107.38
| Solubility = }} | BoilingPtC = 99.3
}}
⚫ | Section3 = {{Chembox Hazards
| Section4 = {{Chembox Thermochemistry
| MainHazards =
| DeltaHf = −259 kJ/mol
⚫ | FlashPt =
| DeltaHc = −5461 kJ/mol
⚫ | Autoignition = }}
| Entropy = 328 J·K<sup>−1</sup>·mol<sup>−1</sup>
}}
⚫ | Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass = Flammable ('''F''')<br />Harmful ('''Xn''')<br />Dangerous for<br />the environment ('''N''')
| RPhrases = {{R11}} {{R38}} {{R50/53}} {{R65}} {{R67}}
| SPhrases = {{S2}} {{S9}} {{S16}} {{S29}} {{S33}} {{S60}} {{S61}} {{S62}}
⚫ | FlashPt = 4.5 °C
| NFPA-H = 1
| NFPA-F = 4
| NFPA-R = 0
⚫ | Autoignition = 417 °C
| ExploLimits = 1.1–6.0%
}}
| Section8 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br />]
| OtherCpds = ]
}}
}} }}

Revision as of 16:54, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 475713283 of page 2,2,4-Trimethylpentane with values updated to verified values.
2,2,4-Trimethylpentane
Skeletal formula of 2,2,4-trimethylpentane
2,2,4-Trimethylpentane
Names
IUPAC name 2,2,4-Trimethylpentane
Other names Isooctane, neopentylpropane (rare)
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
RTECS number
  • SA3320000
InChI
  • InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3Key: NHTMVDHEPJAVLT-UHFFFAOYSA-N
  • InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3Key: NHTMVDHEPJAVLT-UHFFFAOYAA
SMILES
  • CC(C)CC(C)(C)C
Properties
Chemical formula C8H18
Molar mass 114.232 g·mol
Appearance colorless liquid
Density 688 kg/m, liquid
Melting point −107.38 °C (−161.28 °F; 165.77 K)
Boiling point 99.3 °C (210.7 °F; 372.4 K)
Solubility in water Immiscible
Thermochemistry
Std molar
entropy (S298) 		328 J·K·mol
Std enthalpy of
formation (ΔfH298) 		−259 kJ/mol
Std enthalpy of
combustion (ΔcH298) 		−5461 kJ/mol
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 4: Will rapidly or completely vaporize at normal atmospheric pressure and temperature, or is readily dispersed in air and will burn readily. Flash point below 23 °C (73 °F). E.g. propaneInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1 4 0
Flash point 4.5 °C
Explosive limits 1.1–6.0%
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound