ChemSpider 2D Image | 1-Butyl-1,4-dihydro-3H-isochromen-3-one | C13H16O2

1-Butyl-1,4-dihydro-3H-isochromen-3-one

  • Molecular FormulaC13H16O2
  • Average mass204.265 Da
  • Monoisotopic mass204.115036 Da
  • ChemSpider ID21447266

More details:






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

1-Butyl-1,4-dihydro-3H-isochromen-3-on [German] [ACD/IUPAC Name]
1-Butyl-1,4-dihydro-3H-isochromen-3-one [ACD/IUPAC Name]
1-Butyl-1,4-dihydro-3H-isochromén-3-one [French] [ACD/IUPAC Name]
3H-2-Benzopyran-3-one, 1-butyl-1,4-dihydro- [ACD/Index Name]
UPENNABS022
WSK_007

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

Density: 1.1±0.1 g/cm3
Boiling Point: 360.4±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 150.6±22.2 °C
Index of Refraction: 1.516
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.71
ACD/KOC (pH 5.5): 998.10
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.71
ACD/KOC (pH 7.4): 998.10
Polar Surface Area: 26 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 194.4±3.0 cm3

Click to predict properties on the Chemicalize site






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