Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Hexane, 3,3,4-trimethyl-
RN: 16747-31-2
InChIKey: ARWOOWBJJKVYOV-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3,3,4-Trimethylhexane
  • EINECS 240-810-3

Systematic Names

  • 3,3,4-Trimethylhexane
  • Hexane, 3,3,4-trimethyl-

Registry Numbers

CAS Registry Number

  • 16747-31-2

System Generated Number

  • 0016747312

Structure Descriptors

InChI

1S/C9H20/c1-6-8(3)9(4,5)7-2/h8H,6-7H2,1-5H3

InChIKey

ARWOOWBJJKVYOV-UHFFFAOYSA-N

Smiles

C([C@@H](CC)C)(CC)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.01E+02 deg C   EXP
Boiling Point 140.5 deg C   EXP
log P (octanol-water) 4.580 (none)   EST
Water Solubility 3.350 mg/L 25 EST
Henry's Law Constant 4.000 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.07E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.