ChemSpider 2D Image | 1-(5-Bromo-2-methoxyphenyl)-3,5,5-trimethyl-1-hexanone | C16H23BrO2

1-(5-Bromo-2-methoxyphenyl)-3,5,5-trimethyl-1-hexanone

  • Molecular FormulaC16H23BrO2
  • Average mass327.257 Da
  • Monoisotopic mass326.088135 Da
  • ChemSpider ID33245554

More details:

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

1-(5-Brom-2-methoxyphenyl)-3,5,5-trimethyl-1-hexanon [German] [ACD/IUPAC Name]
1-(5-Bromo-2-methoxyphenyl)-3,5,5-trimethyl-1-hexanone [ACD/IUPAC Name]
1-(5-Bromo-2-méthoxyphényl)-3,5,5-triméthyl-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 1-(5-bromo-2-methoxyphenyl)-3,5,5-trimethyl- [ACD/Index Name]
1-(5-bromo-2-methoxyphenyl)-3,5,5-trimethylhexan-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.9±23.7 °C
Index of Refraction: 1.511
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6779.36
ACD/KOC (pH 5.5): 19228.97
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6779.36
ACD/KOC (pH 7.4): 19228.97
Polar Surface Area: 26 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement