ChemSpider 2D Image | (1E,4Z)-1-Bromo-5-hydroxy-2-methyl-1,4-nonadien-3-one | C10H15BrO2

(1E,4Z)-1-Bromo-5-hydroxy-2-methyl-1,4-nonadien-3-one

  • Molecular FormulaC10H15BrO2
  • Average mass247.129 Da
  • Monoisotopic mass246.025528 Da
  • ChemSpider ID30992578
  • Double-bond stereo - Double-bond stereo


More details:






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

(1E,4Z)-1-Brom-5-hydroxy-2-methyl-1,4-nonadien-3-on [German] [ACD/IUPAC Name]
(1E,4Z)-1-Bromo-5-hydroxy-2-methyl-1,4-nonadien-3-one [ACD/IUPAC Name]
(1E,4Z)-1-Bromo-5-hydroxy-2-méthyl-1,4-nonadién-3-one [French] [ACD/IUPAC Name]
1,4-Nonadien-3-one, 1-bromo-5-hydroxy-2-methyl-, (1E,4Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 297.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.3±6.0 kJ/mol
Flash Point: 133.6±27.3 °C
Index of Refraction: 1.523
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.95
ACD/KOC (pH 5.5): 912.39
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 86.59
ACD/KOC (pH 7.4): 823.43
Polar Surface Area: 37 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 188.2±3.0 cm3

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