ChemSpider 2D Image | Methyl 3-chloro-3-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxopropanoate | C13H12Cl2O5

Methyl 3-chloro-3-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxopropanoate

  • Molecular FormulaC13H12Cl2O5
  • Average mass319.137 Da
  • Monoisotopic mass318.006165 Da
  • ChemSpider ID45797683

More details:

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

2H-1,5-Benzodioxepin-7-propanoic acid, β,9-dichloro-3,4-dihydro-α-oxo-, methyl ester [ACD/Index Name]
3-Chloro-3-(9-chloro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-2-oxopropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-chloro-3-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxopropanoate [ACD/IUPAC Name]
Methyl-3-chlor-3-(9-chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxopropanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 416.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 166.5±27.7 °C
Index of Refraction: 1.548
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.22
ACD/KOC (pH 5.5): 515.76
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.22
ACD/KOC (pH 7.4): 515.76
Polar Surface Area: 62 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 226.6±3.0 cm3

Click to predict properties on the Chemicalize site


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