ChemSpider 2D Image | 1,3-Dithiane-5,5-diyldimethanol | C6H12O2S2

1,3-Dithiane-5,5-diyldimethanol

  • Molecular FormulaC6H12O2S2
  • Average mass180.288 Da
  • Monoisotopic mass180.027863 Da
  • ChemSpider ID60998188

More details:






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

1,3-Dithian-5,5-diyldimethanol [German] [ACD/IUPAC Name]
1,3-Dithiane-5,5-dimethanol [ACD/Index Name]
1,3-Dithiane-5,5-diyldimethanol [ACD/IUPAC Name]
1,3-Dithiane-5,5-diyldiméthanol [French] [ACD/IUPAC Name]
361559-72-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 350.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.9±6.0 kJ/mol
Flash Point: 170.3±21.0 °C
Index of Refraction: 1.583
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.36
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.36
Polar Surface Area: 91 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 141.0±3.0 cm3

Click to predict properties on the Chemicalize site






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