ChemSpider 2D Image | 1-(2,2-Dichloro-1-hydroxyethyl)-2-azepanone | C8H13Cl2NO2

1-(2,2-Dichloro-1-hydroxyethyl)-2-azepanone

  • Molecular FormulaC8H13Cl2NO2
  • Average mass226.100 Da
  • Monoisotopic mass225.032333 Da
  • ChemSpider ID21613398

More details:

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

1-(2,2-Dichlor-1-hydroxyethyl)-2-azepanon [German] [ACD/IUPAC Name]
1-(2,2-Dichloro-1-hydroxyethyl)-2-azepanone [ACD/IUPAC Name]
1-(2,2-Dichloro-1-hydroxyéthyl)-2-azépanone [French] [ACD/IUPAC Name]
1-(2,2-Dichloro-1-hydroxy-ethyl)-az; epan-2-one
1-(2,2-Dichloro-1-hydroxyethyl)azepan-2-one
2H-Azepin-2-one, 1-(2,2-dichloro-1-hydroxyethyl)hexahydro- [ACD/Index Name]
1-(2,2-Dichloro-1-hydroxy-ethyl)-az
1-(2,2-Dichloro-1-hydroxy-ethyl)-azepan-2-one
914226-29-2 [RN]
epan-2-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.3±0.1 g/cm3
Boiling Point: 356.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 169.4±27.9 °C
Index of Refraction: 1.529
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.94
ACD/KOC (pH 5.5): 92.85
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 92.79
Polar Surface Area: 41 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 168.0±3.0 cm3

Click to predict properties on the Chemicalize site


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