ChemSpider 2D Image | 3-Bromo-1,1,1-trimethoxypropane | C6H13BrO3

3-Bromo-1,1,1-trimethoxypropane

  • Molecular FormulaC6H13BrO3
  • Average mass213.070 Da
  • Monoisotopic mass212.004807 Da
  • ChemSpider ID24021873

More details:

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

29328-49-2 [RN]
3-Brom-1,1,1-trimethoxypropan [German] [ACD/IUPAC Name]
3-Bromo-1,1,1-trimethoxypropane [ACD/IUPAC Name]
3-Bromo-1,1,1-triméthoxypropane [French] [ACD/IUPAC Name]
Propane, 3-bromo-1,1,1-trimethoxy- [ACD/Index Name]
Trimethyl 3-bromoorthopropionate
MFCD06858756

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

Density: 1.3±0.1 g/cm3
Boiling Point: 139.6±35.0 °C at 760 mmHg
Vapour Pressure: 7.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.1±3.0 kJ/mol
Flash Point: 49.2±24.4 °C
Index of Refraction: 1.448
Molar Refractivity: 42.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.09
ACD/KOC (pH 5.5): 231.21
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.09
ACD/KOC (pH 7.4): 231.21
Polar Surface Area: 28 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 159.9±3.0 cm3

Click to predict properties on the Chemicalize site


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