ChemSpider 2D Image | 2-[2-(2-{[6-(Hexyloxy)-2-naphthyl]oxy}ethoxy)ethyl]-6-(tridecafluorohexyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | C38H32F13NO5

2-[2-(2-{[6-(Hexyloxy)-2-naphthyl]oxy}ethoxy)ethyl]-6-(tridecafluorohexyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC38H32F13NO5
  • Average mass829.644 Da
  • Monoisotopic mass829.207275 Da
  • ChemSpider ID30652993

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-[2-[[6-(hexyloxy)-2-naphthalenyl]oxy]ethoxy]ethyl]-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)- [ACD/Index Name]
2-[2-(2-{[6-(Hexyloxy)-2-naphthyl]oxy}ethoxy)ethyl]-6-(tridecafluorhexyl)-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[2-(2-{[6-(Hexyloxy)-2-naphthyl]oxy}ethoxy)ethyl]-6-(tridecafluorohexyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
2-[2-(2-{[6-(Hexyloxy)-2-naphtyl]oxy}éthoxy)éthyl]-6-(tridécafluorohexyl)-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 708.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.0±32.9 °C
Index of Refraction: 1.516
Molar Refractivity: 179.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 12.13
ACD/LogD (pH 5.5): 10.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 65 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 593.5±3.0 cm3

Click to predict properties on the Chemicalize site


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