ChemSpider 2D Image | 1,1'-[(3,6-Diethynyl-1,2-phenylene)di-2,1-ethynediyl]bis(2-ethynylbiphenylene) | C42H18

1,1'-[(3,6-Diethynyl-1,2-phenylene)di-2,1-ethynediyl]bis(2-ethynylbiphenylene)

  • Molecular FormulaC42H18
  • Average mass522.592 Da
  • Monoisotopic mass522.140869 Da
  • ChemSpider ID74147240

More details:

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

1,1'-[(3,6-Diethinyl-1,2-phenylen)di-2,1-ethindiyl]bis(2-ethinylbiphenylen) [German] [ACD/IUPAC Name]
1,1'-[(3,6-Diethynyl-1,2-phenylene)di-2,1-ethynediyl]bis(2-ethynylbiphenylene) [ACD/IUPAC Name]
1,1'-[(3,6-Diéthynyl-1,2-phénylène)di-2,1-éthynediyl]bis(2-éthynylbiphénylène) [French] [ACD/IUPAC Name]
Biphenylene, 1,1'-[(3,6-diethynyl-1,2-phenylene)di-2,1-ethynediyl]bis[2-ethynyl- [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: 765.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±0.8 kJ/mol
Flash Point: 422.0±27.0 °C
Index of Refraction: 1.854
Molar Refractivity: 173.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.51
ACD/LogD (pH 5.5): 9.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5519515.00
ACD/LogD (pH 7.4): 9.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5519515.00
Polar Surface Area: 0 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 387.6±5.0 cm3

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