ChemSpider 2D Image | 3-Bromo-1-(4-hexylphenyl)-1-propanone | C15H21BrO

3-Bromo-1-(4-hexylphenyl)-1-propanone

  • Molecular FormulaC15H21BrO
  • Average mass297.231 Da
  • Monoisotopic mass296.077576 Da
  • ChemSpider ID23299260

More details:

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

1-Propanone, 3-bromo-1-(4-hexylphenyl)- [ACD/Index Name]
3-Brom-1-(4-hexylphenyl)-1-propanon [German] [ACD/IUPAC Name]
3-Bromo-1-(4-hexylphenyl)-1-propanone [ACD/IUPAC Name]
3-Bromo-1-(4-hexylphényl)-1-propanone [French] [ACD/IUPAC Name]
3-bromo-1-(4-hexylphenyl)propan-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL395602/
β-bromo ketone, 8e

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

Density: 1.2±0.1 g/cm3
Boiling Point: 383.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 24.1±13.3 °C
Index of Refraction: 1.527
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14156.90
ACD/KOC (pH 5.5): 32572.47
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14156.90
ACD/KOC (pH 7.4): 32572.47
Polar Surface Area: 17 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

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