ChemSpider 2D Image | 2,7-Bis(2-methyl-2-propanyl)-4,5,9,10-pyrenetetracarbonitrile | C28H22N4

2,7-Bis(2-methyl-2-propanyl)-4,5,9,10-pyrenetetracarbonitrile

  • Molecular FormulaC28H22N4
  • Average mass414.501 Da
  • Monoisotopic mass414.184448 Da
  • ChemSpider ID26668398

More details:

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

2,7-Bis(2-methyl-2-propanyl)-4,5,9,10-pyrenetetracarbonitrile [ACD/IUPAC Name]
2,7-Bis(2-méthyl-2-propanyl)-4,5,9,10-pyrènetétracarbonitrile [French] [ACD/IUPAC Name]
2,7-Bis(2-methyl-2-propanyl)-4,5,9,10-pyrentetracarbonitril [German] [ACD/IUPAC Name]
4,5,9,10-Pyrenetetracarbonitrile, 2,7-bis(1,1-dimethylethyl)- [ACD/Index Name]
2,7-di-tert-butyl-4,5,9,10-tetracyanopyrene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 317.4±25.4 °C
Index of Refraction: 1.688
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 54668.80
ACD/KOC (pH 5.5): 85675.30
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 54668.80
ACD/KOC (pH 7.4): 85675.30
Polar Surface Area: 95 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 332.9±5.0 cm3

Click to predict properties on the Chemicalize site


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