ChemSpider 2D Image | 6-Chloro-8-[(methylsulfonyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine | C11H13ClO4S

6-Chloro-8-[(methylsulfonyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine

  • Molecular FormulaC11H13ClO4S
  • Average mass276.737 Da
  • Monoisotopic mass276.022308 Da
  • ChemSpider ID30145194

More details:

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

2H-1,5-Benzodioxepin, 6-chloro-3,4-dihydro-8-[(methylsulfonyl)methyl]- [ACD/Index Name]
6-Chlor-8-[(methylsulfonyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin [German] [ACD/IUPAC Name]
6-Chloro-8-[(methylsulfonyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine [ACD/IUPAC Name]
6-Chloro-8-[(méthylsulfonyl)méthyl]-3,4-dihydro-2H-1,5-benzodioxépine [French] [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: 472.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 239.2±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 65.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.54
ACD/KOC (pH 5.5): 212.71
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.54
ACD/KOC (pH 7.4): 212.71
Polar Surface Area: 61 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 201.9±3.0 cm3

Click to predict properties on the Chemicalize site


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