Found 1 result

Search term: InChI=1S/C6H14O2/c1-6(2,3)4-5-8-7/h7H,4-5H2,1-3H3 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 3,3-Dimethylbutyl hydroperoxide | C6H14O2

3,3-Dimethylbutyl hydroperoxide

  • Molecular FormulaC6H14O2
  • Average mass118.174 Da
  • Monoisotopic mass118.099380 Da
  • ChemSpider ID62984436

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3,3-Dimethylbutyl hydroperoxide [ACD/IUPAC Name]
3,3-Dimethylbutylhydroperoxid [German] [ACD/IUPAC Name]
Hydroperoxide, 3,3-dimethylbutyl [ACD/Index Name]
Hydroperoxyde de 3,3-diméthylbutyle [French] [ACD/IUPAC Name]
72537-92-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 167.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.0±6.0 kJ/mol
Flash Point: 55.1±18.7 °C
Index of Refraction: 1.417
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.38
ACD/KOC (pH 5.5): 437.85
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.38
ACD/KOC (pH 7.4): 437.83
Polar Surface Area: 29 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 28.0±3.0 dyne/cm
Molar Volume: 131.5±3.0 cm3

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