ChemSpider 2D Image | 3-(Bromomethyl)-2-oxiranecarboxylic acid | C4H5BrO3

3-(Bromomethyl)-2-oxiranecarboxylic acid

  • Molecular FormulaC4H5BrO3
  • Average mass180.985 Da
  • Monoisotopic mass179.942200 Da
  • ChemSpider ID61499537

More details:

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

2-Oxiranecarboxylic acid, 3-(bromomethyl)- [ACD/Index Name]
3-(Brommethyl)-2-oxirancarbonsäure [German] [ACD/IUPAC Name]
3-(Bromomethyl)-2-oxiranecarboxylic acid [ACD/IUPAC Name]
Acide 3-(bromométhyl)-2-oxiranecarboxylique [French] [ACD/IUPAC Name]
1934919-55-7 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 321.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 61.9±6.0 kJ/mol
Flash Point: 148.3±26.5 °C
Index of Refraction: 1.560
Molar Refractivity: 29.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 11.6±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 90.8±3.0 cm3

Click to predict properties on the Chemicalize site


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