ChemSpider 2D Image | Acetic bromoacetic anhydride | C4H5BrO3

Acetic bromoacetic anhydride

  • Molecular FormulaC4H5BrO3
  • Average mass180.985 Da
  • Monoisotopic mass179.942200 Da
  • ChemSpider ID60845254

More details:

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

Acetic bromoacetic anhydride [ACD/IUPAC Name]
Anhydride acétique-bromoacétique [French] [ACD/IUPAC Name]
Bromessigsäureessigsäureanhydrid [German] [ACD/IUPAC Name]
960048-93-5 [RN]
MFCD22681517

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

Density: 1.7±0.1 g/cm3
Boiling Point: 169.2±23.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 56.1±22.6 °C
Index of Refraction: 1.468
Molar Refractivity: 30.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 44.39
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 44.39
Polar Surface Area: 43 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 108.3±3.0 cm3

Click to predict properties on the Chemicalize site


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