ChemSpider 2D Image | 2,3-Dibromo-4,4,4-trifluoro-3-methylbutanoic acid | C5H5Br2F3O2

2,3-Dibromo-4,4,4-trifluoro-3-methylbutanoic acid

  • Molecular FormulaC5H5Br2F3O2
  • Average mass313.895 Da
  • Monoisotopic mass311.860809 Da
  • ChemSpider ID21469754

More details:

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

2,3-Dibrom-4,4,4-trifluor-3-methylbutansäure [German] [ACD/IUPAC Name]
2,3-Dibromo-4,4,4-trifluoro-3-methylbutanoic acid [ACD/IUPAC Name]
885276-57-3 [RN]
Acide 2,3-dibromo-4,4,4-trifluoro-3-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,3-dibromo-4,4,4-trifluoro-3-methyl- [ACD/Index Name]
2,3-Dibromo-3-(trifluoromethyl)butyric acid
2,3-Dibromo-4,4,4-trifluoro-3-methylbutyric acid
MFCD07784240 [MDL number]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 229.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.4±6.0 kJ/mol
Flash Point: 92.8±27.3 °C
Index of Refraction: 1.484
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 148.9±3.0 cm3

Click to predict properties on the Chemicalize site


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