ChemSpider 2D Image | 4-Butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-7-methoxy[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-one | C22H19F6NO5

4-Butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-7-methoxy[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-one

  • Molecular FormulaC22H19F6NO5
  • Average mass491.380 Da
  • Monoisotopic mass491.116730 Da
  • ChemSpider ID26348483

More details:

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

1,3-Dioxolo[4,5-c]phenanthridin-5(4H)-one, 4-butyl-7-methoxy-11-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]- [ACD/Index Name]
4-Butyl-11-(1,1,1,3,3,3-hexafluor-2-hydroxy-2-propanyl)-7-methoxy[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-on [German] [ACD/IUPAC Name]
4-Butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-7-methoxy[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-one [ACD/IUPAC Name]
4-Butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-7-méthoxy[1,3]dioxolo[4,5-c]phénanthridin-5(4H)-one [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: 608.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.6±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1118.35
ACD/KOC (pH 5.5): 5114.55
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 112.42
ACD/KOC (pH 7.4): 514.13
Polar Surface Area: 68 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 339.9±3.0 cm3

Click to predict properties on the Chemicalize site


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