ChemSpider 2D Image | MFCD00186983 | C22H18O5S

MFCD00186983

  • Molecular FormulaC22H18O5S
  • Average mass394.440 Da
  • Monoisotopic mass394.087494 Da
  • ChemSpider ID21505777

More details:

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

1,1-Dioxyde de 6,7-diméthoxy-3,4-diphényl-2,1-benzoxathiine [French] [ACD/IUPAC Name]
2,1-Benzoxathiin, 6,7-dimethoxy-3,4-diphenyl-, 1,1-dioxide [ACD/Index Name]
6,7-Dimethoxy-3,4-diphenyl-2,1-benzoxathiin-1,1-dioxid [German] [ACD/IUPAC Name]
6,7-Dimethoxy-3,4-diphenyl-2,1-benzoxathiine 1,1-dioxide [ACD/IUPAC Name]
6,7-DIMETHOXY-3,4-DIPHENYL-BENZO(C)(1,2)OXATHIINE 1,1-DIOXIDE
MFCD00186983
6,7-dimethoxy-3,4-diphenyl-2,1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 294.5±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1436.35
ACD/KOC (pH 5.5): 6332.37
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1436.35
ACD/KOC (pH 7.4): 6332.37
Polar Surface Area: 70 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 299.5±3.0 cm3

Click to predict properties on the Chemicalize site


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