ChemSpider 2D Image | 5,6-Dimethyl-1-(phenylethynyl)-1H-benzimidazole | C17H14N2

5,6-Dimethyl-1-(phenylethynyl)-1H-benzimidazole

  • Molecular FormulaC17H14N2
  • Average mass246.307 Da
  • Monoisotopic mass246.115692 Da
  • ChemSpider ID30659139

More details:

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

1H-Benzimidazole, 5,6-dimethyl-1-(2-phenylethynyl)- [ACD/Index Name]
5,6-Dimethyl-1-(phenylethinyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
5,6-Dimethyl-1-(phenylethynyl)-1H-benzimidazole [ACD/IUPAC Name]
5,6-Diméthyl-1-(phényléthynyl)-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 430.8±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.3±29.6 °C
Index of Refraction: 1.597
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1455.77
ACD/KOC (pH 5.5): 6379.95
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1466.56
ACD/KOC (pH 7.4): 6427.22
Polar Surface Area: 18 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 234.5±7.0 cm3

Click to predict properties on the Chemicalize site


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