ChemSpider 2D Image | 6-Nitro-1,2-benzoxathiine 2,2-dioxide | C8H5NO5S

6-Nitro-1,2-benzoxathiine 2,2-dioxide

  • Molecular FormulaC8H5NO5S
  • Average mass227.194 Da
  • Monoisotopic mass226.988846 Da
  • ChemSpider ID29411532

More details:

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

1,2-Benzoxathiin, 6-nitro-, 2,2-dioxide [ACD/Index Name]
2,2-Dioxyde de 6-nitro-1,2-benzoxathiine [French] [ACD/IUPAC Name]
6-Nitro-1,2-benzoxathiin-2,2-dioxid [German] [ACD/IUPAC Name]
6-Nitro-1,2-benzoxathiine 2,2-dioxide [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 312.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 142.9±27.9 °C
Index of Refraction: 1.646
Molar Refractivity: 50.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.85
ACD/KOC (pH 5.5): 240.09
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.85
ACD/KOC (pH 7.4): 240.09
Polar Surface Area: 98 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 139.0±3.0 cm3

Click to predict properties on the Chemicalize site


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