ChemSpider 2D Image | (6Z,9Z,12Z,15Z)-1-Bromo-6,9,12,15-octadecatetraen-3-one | C18H27BrO

(6Z,9Z,12Z,15Z)-1-Bromo-6,9,12,15-octadecatetraen-3-one

  • Molecular FormulaC18H27BrO
  • Average mass339.310 Da
  • Monoisotopic mass338.124512 Da
  • ChemSpider ID35516594

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9Z,12Z,15Z)-1-Brom-6,9,12,15-octadecatetraen-3-on [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-1-Bromo-6,9,12,15-octadecatetraen-3-one [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-1-Bromo-6,9,12,15-octadécatétraén-3-one [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraen-3-one, 1-bromo-, (6Z,9Z,12Z,15Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: -23.2±16.0 °C
Index of Refraction: 1.514
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11358.18
ACD/KOC (pH 5.5): 27821.39
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11358.18
ACD/KOC (pH 7.4): 27821.39
Polar Surface Area: 17 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 310.4±3.0 cm3

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