ChemSpider 2D Image | 2-(4a,6,7,8a-Tetrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxin-2-ylidene)-4a,6,7,8a-tetrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxine | C14H12O4S8

2-(4a,6,7,8a-Tetrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxin-2-ylidene)-4a,6,7,8a-tetrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxine

  • Molecular FormulaC14H12O4S8
  • Average mass500.763 Da
  • Monoisotopic mass499.850128 Da
  • ChemSpider ID8611489

More details:

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

1,3-Dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxin, 4a,6,7,8a-tetrahydro-2-(4a,6,7,8a-tetrahydro-1,3-dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxin-2-ylidene)- [ACD/Index Name]
2-(4a,6,7,8a-Tetrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxin-2-yliden)-4a,6,7,8a-tetrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxin [German] [ACD/IUPAC Name]
2-(4a,6,7,8a-Tetrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxin-2-ylidene)-4a,6,7,8a-tetrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxine [ACD/IUPAC Name]
2-(4a,6,7,8a-Tétrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxin-2-ylidène)-4a,6,7,8a-tétrahydro[1,3]dithiolo[5,6][1,4]dithiino[2,3-b][1,4]dioxine [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 642.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 342.3±31.5 °C
Index of Refraction: 1.911
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 10.12
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 279161.25
ACD/KOC (pH 5.5): 275243.63
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 279161.25
ACD/KOC (pH 7.4): 275243.63
Polar Surface Area: 239 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 105.5±5.0 dyne/cm
Molar Volume: 264.2±5.0 cm3

Click to predict properties on the Chemicalize site


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