ChemSpider 2D Image | 3,3-Dibromo-1-propene-1,1-diol | C3H4Br2O2

3,3-Dibromo-1-propene-1,1-diol

  • Molecular FormulaC3H4Br2O2
  • Average mass231.871 Da
  • Monoisotopic mass229.857788 Da
  • ChemSpider ID95698213

More details:

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

1-Propene-1,1-diol, 3,3-dibromo- [ACD/Index Name]
3,3-Dibrom-1-propen-1,1-diol [German] [ACD/IUPAC Name]
3,3-Dibromo-1-propene-1,1-diol [ACD/IUPAC Name]
3,3-Dibromo-1-propène-1,1-diol [French] [ACD/IUPAC Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 396.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 193.6±27.9 °C
Index of Refraction: 1.658
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 94.91
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 82.06
Polar Surface Area: 40 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 93.2±3.0 cm3

Click to predict properties on the Chemicalize site


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