ChemSpider 2D Image | 2-Bromo-3-hydroxypropyl nitrate | C3H6BrNO4

2-Bromo-3-hydroxypropyl nitrate

  • Molecular FormulaC3H6BrNO4
  • Average mass199.988 Da
  • Monoisotopic mass198.948013 Da
  • ChemSpider ID110511969

More details:

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

1,3-Propanediol, 2-bromo-, mononitrate [ACD/Index Name]
2-Brom-3-hydroxypropylnitrat [German] [ACD/IUPAC Name]
2-Bromo-3-hydroxypropyl nitrate [ACD/IUPAC Name]
Nitrate de 2-bromo-3-hydroxypropyle [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: 196.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.4±6.0 kJ/mol
Flash Point: 72.7±23.2 °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: 1.01
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 75.81
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 75.81
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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