ChemSpider 2D Image | 4-Bromo-2-octenoic acid | C8H13BrO2

4-Bromo-2-octenoic acid

  • Molecular FormulaC8H13BrO2
  • Average mass221.092 Da
  • Monoisotopic mass220.009888 Da
  • ChemSpider ID23349249

More details:

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

2-Octenoic acid, 4-bromo- [ACD/Index Name]
4-Brom-2-octensäure [German] [ACD/IUPAC Name]
4-Bromo-2-octenoic acid [ACD/IUPAC Name]
4-Bromooct-2-enoic acid
Acide 4-bromo-2-octénoïque [French] [ACD/IUPAC Name]
115185-86-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 307.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.3±6.0 kJ/mol
Flash Point: 140.0±23.2 °C
Index of Refraction: 1.508
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 27.97
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 162.4±3.0 cm3

Click to predict properties on the Chemicalize site


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