ChemSpider 2D Image | 1-Isocyanato-4-(phenylethynyl)naphthalene | C19H11NO

1-Isocyanato-4-(phenylethynyl)naphthalene

  • Molecular FormulaC19H11NO
  • Average mass269.297 Da
  • Monoisotopic mass269.084076 Da
  • ChemSpider ID81822174

More details:

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

1-Isocyanato-4-(phenylethinyl)naphthalin [German] [ACD/IUPAC Name]
1-Isocyanato-4-(phényléthynyl)naphtalène [French] [ACD/IUPAC Name]
1-Isocyanato-4-(phenylethynyl)naphthalene [ACD/IUPAC Name]
Naphthalene, 1-isocyanato-4-(2-phenylethynyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 436.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 162.5±26.6 °C
Index of Refraction: 1.593
Molar Refractivity: 86.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12964.33
ACD/KOC (pH 5.5): 30584.02
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12964.33
ACD/KOC (pH 7.4): 30584.02
Polar Surface Area: 29 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 254.9±7.0 cm3

Click to predict properties on the Chemicalize site


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