ChemSpider 2D Image | 1,1'-(2,2-Propanediyl)bis[3,4-bis(phenylethynyl)benzene] | C47H32

1,1'-(2,2-Propanediyl)bis[3,4-bis(phenylethynyl)benzene]

  • Molecular FormulaC47H32
  • Average mass596.757 Da
  • Monoisotopic mass596.250427 Da
  • ChemSpider ID21134627

More details:

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

1,1'-(2,2-Propandiyl)bis[3,4-bis(phenylethinyl)benzol] [German] [ACD/IUPAC Name]
1,1'-(2,2-Propanediyl)bis[3,4-bis(phenylethynyl)benzene] [ACD/IUPAC Name]
1,1'-(2,2-Propanediyl)bis[3,4-bis(phényléthynyl)benzène] [French] [ACD/IUPAC Name]
Benzene, 1,1'-(1-methylethylidene)bis[3,4-bis(2-phenylethynyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 769.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±0.8 kJ/mol
Flash Point: 428.0±27.0 °C
Index of Refraction: 1.709
Molar Refractivity: 193.3±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 15.15
ACD/LogD (pH 5.5): 12.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 495.3±5.0 cm3

Click to predict properties on the Chemicalize site


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