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Substance Name: 2,2,5-Trimethylhexane
RN: 3522-94-9
UNII: AGW1Z6985E
InChIKey: HHOSMYBYIHNXNO-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Name of Substance

  • 2,2,5-Trimethylhexane

Synonyms

  • 2,2,5-Trimethylhexane
  • 4-01-00-00460 (Beilstein Handbook Reference)
  • BRN 1730924
  • EINECS 222-537-1
  • NSC 65657
  • UNII-AGW1Z6985E

Systematic Names

  • 2,2,5-Trimethylhexane
  • Hexane, 2,2,5-trimethyl-

Superlist Names

  • 2,2,5-Trimethylhexane
  • Hexane, 2,2,5-trimethyl-

Registry Numbers

CAS Registry Number

  • 3522-94-9

FDA UNII

  • AGW1Z6985E

System Generated Number

  • 0003522949

Structure Descriptors

InChI

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

InChIKey

HHOSMYBYIHNXNO-UHFFFAOYSA-N

Smiles

C(C)(CCC(C)C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.06E+02 deg C   EXP
Boiling Point 124 deg C   EXP
log P (octanol-water) 4.580 (none)   EST
Water Solubility 1.15 mg/L 25 EXP
Vapor Pressure 16.6 mm Hg 25 EXP
Henry's Law Constant 2.440 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.05E-12 cm3/molecule-sec 25 EST

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