Found 1 result

Search term: InChI=1S/C6H11NO5/c1-2-3-4-5-6(8)11-12-7(9)10/h2-5H2,1H3 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 1-(Nitroperoxy)-1-hexanone | C6H11NO5

1-(Nitroperoxy)-1-hexanone

  • Molecular FormulaC6H11NO5
  • Average mass177.155 Da
  • Monoisotopic mass177.063721 Da
  • ChemSpider ID57569917

More details:

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

1-(Nitroperoxy)-1-hexanon [German] [ACD/IUPAC Name]
1-(Nitroperoxy)-1-hexanone [ACD/IUPAC Name]
1-(Nitroperoxy)-1-hexanone [French] [ACD/IUPAC Name]
56879-26-6 [RN]
Peroxide, nitro 1-oxohexyl

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

Density: 1.2±0.1 g/cm3
Boiling Point: 230.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.8±3.0 kJ/mol
Flash Point: 97.3±24.6 °C
Index of Refraction: 1.437
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.28
ACD/KOC (pH 5.5): 796.25
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.28
ACD/KOC (pH 7.4): 796.25
Polar Surface Area: 81 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 150.2±3.0 cm3

Click to predict properties on the Chemicalize site


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