ChemSpider 2D Image | 6-(Chloromethyl)-3-(phenylacetyl)-2H-chromen-2-one | C18H13ClO3

6-(Chloromethyl)-3-(phenylacetyl)-2H-chromen-2-one

  • Molecular FormulaC18H13ClO3
  • Average mass312.747 Da
  • Monoisotopic mass312.055328 Da
  • ChemSpider ID23112655

More details:

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

2H-1-Benzopyran-2-one, 6-(chloromethyl)-3-(2-phenylacetyl)- [ACD/Index Name]
6-(Chlormethyl)-3-(phenylacetyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-(Chlorométhyl)-3-(2-phénylacétyl)-2H-chromén-2-one [French] [ACD/IUPAC Name]
6-(Chloromethyl)-3-(phenylacetyl)-2H-chromen-2-one [ACD/IUPAC Name]
6-Chloromethyl-3-phenylacetyl-chromen-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 222.6±29.1 °C
Index of Refraction: 1.627
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 615.25
ACD/KOC (pH 5.5): 3451.48
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 615.25
ACD/KOC (pH 7.4): 3451.48
Polar Surface Area: 43 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 234.7±3.0 cm3

Click to predict properties on the Chemicalize site


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