ChemSpider 2D Image | 5-(Bromomethyl)-5-methyl-1,3-dioxan-2-one | C6H9BrO3

5-(Bromomethyl)-5-methyl-1,3-dioxan-2-one

  • Molecular FormulaC6H9BrO3
  • Average mass209.038 Da
  • Monoisotopic mass207.973495 Da
  • ChemSpider ID58180158

More details:

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

1,3-Dioxan-2-one, 5-(bromomethyl)-5-methyl- [ACD/Index Name]
5-(Brommethyl)-5-methyl-1,3-dioxan-2-on [German] [ACD/IUPAC Name]
5-(Bromomethyl)-5-methyl-1,3-dioxan-2-one [ACD/IUPAC Name]
5-(Bromométhyl)-5-méthyl-1,3-dioxan-2-one [French] [ACD/IUPAC Name]
1346562-84-2 [RN]
MFCD24465441

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

Density: 1.5±0.1 g/cm3
Boiling Point: 319.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 146.7±20.4 °C
Index of Refraction: 1.476
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 95.01
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 95.01
Polar Surface Area: 36 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 137.7±3.0 cm3

Click to predict properties on the Chemicalize site


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