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Substance Name: 2,4,4-Trimethylhexane
RN: 16747-30-1
InChIKey: SVEMKBCPZYWEPH-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Synonym

  • EINECS 240-809-8

Systematic Name

  • 2,4,4-Trimethylhexane

Registry Numbers

CAS Registry Number

  • 16747-30-1

System Generated Number

  • 0016747301

Structure Descriptors

InChI

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

InChIKey

SVEMKBCPZYWEPH-UHFFFAOYSA-N

Smiles

C(C(CC)(C)C)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.13E+02 deg C   EXP
Boiling Point 130.7 deg C   EXP
log P (octanol-water) 4.580 (none)   EST
Water Solubility 3.350 mg/L 25 EST
Vapor Pressure 13.4 mm Hg 25 EXP
Henry's Law Constant 4.000 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.78E-12 cm3/molecule-sec 25 EST

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