ChemSpider 2D Image | 2-(1-Pyrenyl)-1,3-dithiane | C20H16S2

2-(1-Pyrenyl)-1,3-dithiane

  • Molecular FormulaC20H16S2
  • Average mass320.471 Da
  • Monoisotopic mass320.069336 Da
  • ChemSpider ID24742013

More details:

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

1,3-Dithiane, 2-(1-pyrenyl)- [ACD/Index Name]
2-(1-Pyrenyl)-1,3-dithian [German] [ACD/IUPAC Name]
2-(1-Pyrenyl)-1,3-dithiane [ACD/IUPAC Name]
2-(1-Pyrényl)-1,3-dithiane [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 300.4±27.2 °C
Index of Refraction: 1.820
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29979.82
ACD/KOC (pH 5.5): 55731.21
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29979.82
ACD/KOC (pH 7.4): 55731.21
Polar Surface Area: 51 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 242.1±3.0 cm3

Click to predict properties on the Chemicalize site


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