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Substance Name: 2,4-Dimethylhexane
RN: 589-43-5
UNII: 9A9NBD65O2
InChIKey: HDGQICNBXPAKLR-UHFFFAOYSA-N

Molecular Formula

  • C8-H18

Molecular Weight

  • 114.23
 
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Names and Synonyms

Name of Substance

  • 2,4-Dimethylhexane

Synonyms

  • 2,4-Dimethylhexane
  • EINECS 209-649-6
  • NSC 74171
  • UNII-9A9NBD65O2

Systematic Names

  • 2,4-Dimethylhexane
  • Hexane, 2,4-dimethyl-
  • Hexane, 2,4-dimethyl- (8CI)(9CI)

Superlist Names

  • 2,4-Dimethylhexane
  • Hexane, 2,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 589-43-5

FDA UNII

  • 9A9NBD65O2

System Generated Number

  • 0000589435

Structure Descriptors

InChI

1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3

InChIKey

HDGQICNBXPAKLR-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 109.5 deg C   EXP
log P (octanol-water) 4.120 (none)   EST
Water Solubility 9.870 mg/L 25 EST
Vapor Pressure 30.4 mm Hg 25 EXP
Henry's Law Constant 4.880 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.55E-12 cm3/molecule-sec 25 EST

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