ChemSpider 2D Image | (1E,3E,5E)-1-Bromo-1,3,5-octatrien-7-yne | C8H7Br

(1E,3E,5E)-1-Bromo-1,3,5-octatrien-7-yne

  • Molecular FormulaC8H7Br
  • Average mass183.045 Da
  • Monoisotopic mass181.973099 Da
  • ChemSpider ID110476674

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,3E,5E)-1-Brom-1,3,5-octatrien-7-in [German] [ACD/IUPAC Name]
(1E,3E,5E)-1-Bromo-1,3,5-octatrien-7-yne [ACD/IUPAC Name]
(1E,3E,5E)-1-Bromo-1,3,5-octatrién-7-yne [French] [ACD/IUPAC Name]
1,3,5-Octatrien-7-yne, 1-bromo-, (1E,3E,5E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 196.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.5±3.0 kJ/mol
Flash Point: 74.3±17.0 °C
Index of Refraction: 1.562
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.25
ACD/KOC (pH 5.5): 914.83
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.25
ACD/KOC (pH 7.4): 914.83
Polar Surface Area: 0 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 138.4±3.0 cm3

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