ChemSpider 2D Image | 6,8,8-Tribromo-5-oxo-5,8-dihydro-1-naphthalenyl acetate | C12H7Br3O3

6,8,8-Tribromo-5-oxo-5,8-dihydro-1-naphthalenyl acetate

  • Molecular FormulaC12H7Br3O3
  • Average mass438.894 Da
  • Monoisotopic mass435.794495 Da
  • ChemSpider ID57501733

More details:

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

1(4H)-Naphthalenone, 5-(acetyloxy)-2,4,4-tribromo- [ACD/Index Name]
6,8,8-Tribrom-5-oxo-5,8-dihydro-1-naphthalinyl-acetat [German] [ACD/IUPAC Name]
6,8,8-Tribromo-5-oxo-5,8-dihydro-1-naphthalenyl acetate [ACD/IUPAC Name]
Acétate de 6,8,8-tribromo-5-oxo-5,8-dihydro-1-naphtalényle [French] [ACD/IUPAC Name]
6,8,8-Tribromo-5-oxo-5,8-dihydronaphthalen-1-yl acetate
87712-57-0 [RN]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 457.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.4±28.7 °C
Index of Refraction: 1.687
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 637.77
ACD/KOC (pH 5.5): 3541.43
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 637.77
ACD/KOC (pH 7.4): 3541.43
Polar Surface Area: 43 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 203.2±3.0 cm3

Click to predict properties on the Chemicalize site


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