ChemSpider 2D Image | 2,2',2'',3,3',3''-Hexahydro-5,5':7',5''-terthieno[3,4-b][1,4]dioxine | C18H14O6S3

2,2',2'',3,3',3''-Hexahydro-5,5':7',5''-terthieno[3,4-b][1,4]dioxine

  • Molecular FormulaC18H14O6S3
  • Average mass422.495 Da
  • Monoisotopic mass421.995239 Da
  • ChemSpider ID25940129

More details:

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

2,2',2'',3,3',3''-Hexahydro-5,5':7',5''-terthieno[3,4-b][1,4]dioxin [German] [ACD/IUPAC Name]
2,2',2'',3,3',3''-Hexahydro-5,5':7',5''-terthieno[3,4-b][1,4]dioxine [ACD/IUPAC Name]
2,2',2'',3,3',3''-Hexahydro-5,5':7',5''-terthiéno[3,4-b][1,4]dioxine [French] [ACD/IUPAC Name]
2,3,2′,3′,2″,3″-hexahydro-[5,5′:7′,5″]ter(thieno[3,4-b][1,4]dioxine)
5,5':7',5''-Terthieno[3,4-b]-1,4-dioxin, 2,2',2'',3,3',3''-hexahydro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 597.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 315.2±30.1 °C
Index of Refraction: 1.671
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.24
ACD/KOC (pH 5.5): 859.61
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.24
ACD/KOC (pH 7.4): 859.61
Polar Surface Area: 140 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

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