ChemSpider 2D Image | 4-[2-(4-dimethylaminophenyl)ethynyl]-6-methyl-pyran-2-one | C16H15NO2

4-[2-(4-dimethylaminophenyl)ethynyl]-6-methyl-pyran-2-one

  • Molecular FormulaC16H15NO2
  • Average mass253.296 Da
  • Monoisotopic mass253.110275 Da
  • ChemSpider ID21150401

More details:

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 148.2±18.8 °C
Index of Refraction: 1.608
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.93
ACD/KOC (pH 5.5): 1118.21
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.79
ACD/KOC (pH 7.4): 1151.68
Polar Surface Area: 30 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 214.3±5.0 cm3

Click to predict properties on the Chemicalize site


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