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Substance Name: 2,2-Dimethylheptane
RN: 1071-26-7
UNII: 3UIU4Z489X
InChIKey: PSABUFWDVWCFDP-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Name of Substance

  • 2,2-Dimethylheptane

Synonyms

  • 2,2-Dimethylheptane
  • EINECS 213-989-0
  • NSC 74181
  • UNII-3UIU4Z489X

Systematic Names

  • 2,2-Dimethylheptane
  • Heptane, 2,2-dimethyl-
  • Heptane, 2,2-dimethyl- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 1071-26-7

FDA UNII

  • 3UIU4Z489X

System Generated Number

  • 0001071267

Structure Descriptors

InChI

1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3

InChIKey

PSABUFWDVWCFDP-UHFFFAOYSA-N

Smiles

C(C(C)(C)C)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.13E+02 deg C   EXP
Boiling Point 132.7 deg C   EXP
log P (octanol-water) 4.650 (none)   EST
Water Solubility 2.900 mg/L 25 EST
Vapor Pressure 10.8 mm Hg 25 EXP
Henry's Law Constant 4.000 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.06E-12 cm3/molecule-sec 25 EST

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