ChemSpider 2D Image | 1-(Iodoethynyl)-2-(3-methyl-3-buten-1-yn-1-yl)benzene | C13H9I

1-(Iodoethynyl)-2-(3-methyl-3-buten-1-yn-1-yl)benzene

  • Molecular FormulaC13H9I
  • Average mass292.115 Da
  • Monoisotopic mass291.974884 Da
  • ChemSpider ID90684042

More details:

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

1-(Iodethinyl)-2-(3-methyl-3-buten-1-in-1-yl)benzol [German] [ACD/IUPAC Name]
1-(Iodoethynyl)-2-(3-methyl-3-buten-1-yn-1-yl)benzene [ACD/IUPAC Name]
1-(Iodoéthynyl)-2-(3-méthyl-3-butén-1-yn-1-yl)benzène [French] [ACD/IUPAC Name]
Benzene, 1-(2-iodoethynyl)-2-(3-methyl-3-buten-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: 333.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 158.6±22.3 °C
Index of Refraction: 1.646
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7351.50
ACD/KOC (pH 5.5): 20377.11
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7351.50
ACD/KOC (pH 7.4): 20377.11
Polar Surface Area: 0 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 186.4±5.0 cm3

Click to predict properties on the Chemicalize site


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