ChemSpider 2D Image | 1,2,3-Trithionane | C6H12S3

1,2,3-Trithionane

  • Molecular FormulaC6H12S3
  • Average mass180.355 Da
  • Monoisotopic mass180.010117 Da
  • ChemSpider ID13518900

More details:

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

1,2,3-Trithionan [German] [ACD/IUPAC Name]
1,2,3-Trithionane [ACD/Index Name] [ACD/IUPAC Name]
1,2,3-Trithionane [French] [ACD/IUPAC Name]
Trithiacyclononane
61775-36-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 288.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 133.8±19.7 °C
Index of Refraction: 1.574
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.35
ACD/KOC (pH 5.5): 1067.08
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.35
ACD/KOC (pH 7.4): 1067.08
Polar Surface Area: 76 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 158.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement