ChemSpider 2D Image | 4-Iodo-3-pentyl-2-phenyl-1(2H)-isoquinolinone | C20H20INO

4-Iodo-3-pentyl-2-phenyl-1(2H)-isoquinolinone

  • Molecular FormulaC20H20INO
  • Average mass417.283 Da
  • Monoisotopic mass417.058960 Da
  • ChemSpider ID74790856

More details:

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

1(2H)-Isoquinolinone, 4-iodo-3-pentyl-2-phenyl- [ACD/Index Name]
4-Iod-3-pentyl-2-phenyl-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
4-Iodo-3-pentyl-2-phényl-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
4-Iodo-3-pentyl-2-phenyl-1(2H)-isoquinolinone [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 488.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.4±28.7 °C
Index of Refraction: 1.661
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45348.49
ACD/KOC (pH 5.5): 74946.29
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45348.49
ACD/KOC (pH 7.4): 74946.29
Polar Surface Area: 20 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 278.2±5.0 cm3

Click to predict properties on the Chemicalize site


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