ChemSpider 2D Image | 2-Methyl-3-(3-methyl-3-dioxiranyl)-3-oxopropanoyl nitrite | C6H7NO6

2-Methyl-3-(3-methyl-3-dioxiranyl)-3-oxopropanoyl nitrite

  • Molecular FormulaC6H7NO6
  • Average mass189.123 Da
  • Monoisotopic mass189.027344 Da
  • ChemSpider ID67176969

More details:

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

2-Methyl-3-(3-methyl-3-dioxiranyl)-3-oxopropanoyl nitrite [ACD/IUPAC Name]
2-Methyl-3-(3-methyl-3-dioxiranyl)-3-oxopropanoylnitrit [German] [ACD/IUPAC Name]
Nitrite de 2-méthyl-3-(3-méthyl-3-dioxiranyl)-3-oxopropanoyle [French] [ACD/IUPAC Name]
Nitrous acid, 2-methyl-3-(3-methyl-3-dioxiranyl)-1,3-dioxopropyl ester [ACD/Index Name]
peroxypropionyl nitrite

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

Density: 1.6±0.1 g/cm3
Boiling Point: 221.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 96.4±24.6 °C
Index of Refraction: 1.537
Molar Refractivity: 37.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 61.46
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 48.90
Polar Surface Area: 98 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 120.3±7.0 cm3

Click to predict properties on the Chemicalize site


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