ChemSpider 2D Image | 2-Bromo-1-(4-tert-butylphenyl)pentan-1-one | C15H21BrO

2-Bromo-1-(4-tert-butylphenyl)pentan-1-one

  • Molecular FormulaC15H21BrO
  • Average mass297.231 Da
  • Monoisotopic mass296.077576 Da
  • ChemSpider ID21514104

More details:

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

1-Pentanone, 2-bromo-1-[4-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]
2-Brom-1-[4-(2-methyl-2-propanyl)phenyl]-1-pentanon [German] [ACD/IUPAC Name]
2-Bromo-1-(4-tert-butyl-phenyl)-pen; tan-1-one
2-Bromo-1-(4-tert-butylphenyl)pentan-1-one
2-Bromo-1-[4-(2-methyl-2-propanyl)phenyl]-1-pentanone [ACD/IUPAC Name]
2-Bromo-1-[4-(2-méthyl-2-propanyl)phényl]-1-pentanone [French] [ACD/IUPAC Name]
2-Bromo-1-(4-tert-butyl-phenyl)-pen
2-Bromo-1-(4-tert-butyl-phenyl)-pentan-1-one
MFCD09031807 [MDL number]
tan-1-one

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 347.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: -1.2±10.5 °C
Index of Refraction: 1.520
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2439.55
ACD/KOC (pH 5.5): 9251.93
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2439.55
ACD/KOC (pH 7.4): 9251.93
Polar Surface Area: 17 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 250.7±3.0 cm3

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