ChemSpider 2D Image | 8-Nitro-2,3-dihydro-1,4-benzoxathiine 4,4-dioxide | C8H7NO5S

8-Nitro-2,3-dihydro-1,4-benzoxathiine 4,4-dioxide

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID62815869

More details:

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

1,4-Benzoxathiin, 2,3-dihydro-8-nitro-, 4,4-dioxide [ACD/Index Name]
4,4-Dioxyde de 8-nitro-2,3-dihydro-1,4-benzoxathiine [French] [ACD/IUPAC Name]
8-Nitro-2,3-dihydro-1,4-benzoxathiin-4,4-dioxid [German] [ACD/IUPAC Name]
8-Nitro-2,3-dihydro-1,4-benzoxathiine 4,4-dioxide [ACD/IUPAC Name]
769194-76-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 470.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 238.6±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 50.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 48.97
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.61
ACD/KOC (pH 7.4): 48.97
Polar Surface Area: 98 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 145.7±3.0 cm3

Click to predict properties on the Chemicalize site


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