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

3-Bromo-2-hydroxypropyl nitrate

  • Molecular FormulaC3H6BrNO4
  • Average mass199.988 Da
  • Monoisotopic mass198.948013 Da
  • ChemSpider ID75607421

More details:

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

1,2-Propanediol, 3-bromo-, 1-nitrate [ACD/Index Name]
3-Brom-2-hydroxypropylnitrat [German] [ACD/IUPAC Name]
3-Bromo-2-hydroxypropyl nitrate [ACD/IUPAC Name]
Nitrate de 3-bromo-2-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: 191.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.7±6.0 kJ/mol
Flash Point: 69.4±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: 1.15
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 88.03
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 88.03
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


Advertisement