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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:54, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 475713283 of page 2,2,4-Trimethylpentane for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:54, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 475713283 of page 2,2,4-Trimethylpentane for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
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