ChemSpider 2D Image | [(3E)-4-Iodo-3-methyl-3-buten-1-yl]benzene | C11H13I

[(3E)-4-Iodo-3-methyl-3-buten-1-yl]benzene

  • Molecular FormulaC11H13I
  • Average mass272.125 Da
  • Monoisotopic mass272.006195 Da
  • ChemSpider ID30992573
  • Double-bond stereo - Double-bond stereo


More details:






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

[(3E)-4-Iod-3-methyl-3-buten-1-yl]benzol [German] [ACD/IUPAC Name]
[(3E)-4-Iodo-3-methyl-3-buten-1-yl]benzene [ACD/IUPAC Name]
[(3E)-4-Iodo-3-méthyl-3-butén-1-yl]benzène [French] [ACD/IUPAC Name]
Benzene, [(3E)-4-iodo-3-methyl-3-buten-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 284.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 121.4±15.8 °C
Index of Refraction: 1.596
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1545.29
ACD/KOC (pH 5.5): 6672.56
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1545.29
ACD/KOC (pH 7.4): 6672.56
Polar Surface Area: 0 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 184.0±3.0 cm3

Click to predict properties on the Chemicalize site






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