ChemSpider 2D Image | 2-(2-Propyn-1-ylidene)-1,3-dithiolane | C6H6S2

2-(2-Propyn-1-ylidene)-1,3-dithiolane

  • Molecular FormulaC6H6S2
  • Average mass142.242 Da
  • Monoisotopic mass141.991089 Da
  • ChemSpider ID62923212

More details:

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

1,3-Dithiolane, 2-(2-propyn-1-ylidene)- [ACD/Index Name]
2-(2-Propin-1-yliden)-1,3-dithiolan [German] [ACD/IUPAC Name]
2-(2-Propyn-1-ylidene)-1,3-dithiolane [ACD/IUPAC Name]
2-(2-Propyn-1-ylidène)-1,3-dithiolane [French] [ACD/IUPAC Name]
845777-00-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 219.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.7±3.0 kJ/mol
Flash Point: 90.8±24.4 °C
Index of Refraction: 1.765
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.83
ACD/KOC (pH 5.5): 658.72
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.83
ACD/KOC (pH 7.4): 658.72
Polar Surface Area: 51 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 74.4±3.0 dyne/cm
Molar Volume: 105.2±3.0 cm3

Click to predict properties on the Chemicalize site


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