ChemSpider 2D Image | 1-(Iodoethynyl)-2-[(3E)-3-penten-1-yn-1-yl]benzene | C13H9I

1-(Iodoethynyl)-2-[(3E)-3-penten-1-yn-1-yl]benzene

  • Molecular FormulaC13H9I
  • Average mass292.115 Da
  • Monoisotopic mass291.974884 Da
  • ChemSpider ID91915082

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(Iodethinyl)-2-[(3E)-3-penten-1-in-1-yl]benzol [German] [ACD/IUPAC Name]
1-(Iodoethynyl)-2-[(3E)-3-penten-1-yn-1-yl]benzene [ACD/IUPAC Name]
1-(Iodoéthynyl)-2-[(3E)-3-pentén-1-yn-1-yl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-(2-iodoethynyl)-2-[(3E)-3-penten-1-yn-1-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 337.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 161.4±22.3 °C
Index of Refraction: 1.658
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6592.78
ACD/KOC (pH 5.5): 18848.66
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6592.78
ACD/KOC (pH 7.4): 18848.66
Polar Surface Area: 0 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 184.6±5.0 cm3

Click to predict properties on the Chemicalize site


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