ChemSpider 2D Image | 1-Bromo-3-hydroxy-2-propanyl nitrate | C3H6BrNO4

1-Bromo-3-hydroxy-2-propanyl nitrate

  • Molecular FormulaC3H6BrNO4
  • Average mass199.988 Da
  • Monoisotopic mass198.948013 Da
  • ChemSpider ID110512173

More details:

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

1,2-Propanediol, 3-bromo-, 2-nitrate [ACD/Index Name]
1-Brom-3-hydroxy-2-propanylnitrat [German] [ACD/IUPAC Name]
1-Bromo-3-hydroxy-2-propanyl nitrate [ACD/IUPAC Name]
Nitrate de 1-bromo-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 185.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.1±6.0 kJ/mol
Flash Point: 66.2±24.6 °C
Index of Refraction: 1.521
Molar Refractivity: 32.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 92.51
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.92
ACD/KOC (pH 7.4): 92.51
Polar Surface Area: 75 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 108.3±3.0 cm3

Click to predict properties on the Chemicalize site


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