ChemSpider 2D Image | 5-Nitroso-1,3-dioxan-5-yl benzoate | C11H11NO5

5-Nitroso-1,3-dioxan-5-yl benzoate

  • Molecular FormulaC11H11NO5
  • Average mass237.209 Da
  • Monoisotopic mass237.063721 Da
  • ChemSpider ID21133189

More details:

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

1,3-Dioxan-5-ol, 5-nitroso-, benzoate (ester) [ACD/Index Name]
5-Nitroso-1,3-dioxan-5-yl benzoate [ACD/IUPAC Name]
5-Nitroso-1,3-dioxan-5-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 5-nitroso-1,3-dioxan-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 350.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 165.9±22.3 °C
Index of Refraction: 1.565
Molar Refractivity: 57.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.98
ACD/KOC (pH 5.5): 229.91
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.98
ACD/KOC (pH 7.4): 229.91
Polar Surface Area: 74 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 176.8±7.0 cm3

Click to predict properties on the Chemicalize site


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