ChemSpider 2D Image | 1-Bromo-4,4-dimethoxy-2-butanol | C6H13BrO3

1-Bromo-4,4-dimethoxy-2-butanol

  • Molecular FormulaC6H13BrO3
  • Average mass213.070 Da
  • Monoisotopic mass212.004807 Da
  • ChemSpider ID98367071

More details:

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

1-Brom-4,4-dimethoxy-2-butanol [German] [ACD/IUPAC Name]
1-Bromo-4,4-dimethoxy-2-butanol [ACD/IUPAC Name]
1-Bromo-4,4-diméthoxy-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 1-bromo-4,4-dimethoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 272.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.3±6.0 kJ/mol
Flash Point: 118.4±27.3 °C
Index of Refraction: 1.472
Molar Refractivity: 42.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.66
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.66
Polar Surface Area: 39 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 151.7±3.0 cm3

Click to predict properties on the Chemicalize site


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