ChemSpider 2D Image | 5-Methyl-1,2-dithiolan-3-one | C4H6OS2

5-Methyl-1,2-dithiolan-3-one

  • Molecular FormulaC4H6OS2
  • Average mass134.220 Da
  • Monoisotopic mass133.986008 Da
  • ChemSpider ID63001011

More details:

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

1,2-Dithiolan-3-one, 5-methyl- [ACD/Index Name]
5-Methyl-1,2-dithiolan-3-on [German] [ACD/IUPAC Name]
5-Methyl-1,2-dithiolan-3-one [ACD/IUPAC Name]
5-Méthyl-1,2-dithiolan-3-one [French] [ACD/IUPAC Name]
21083-24-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 221.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 96.3±12.7 °C
Index of Refraction: 1.587
Molar Refractivity: 35.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 90.72
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 90.72
Polar Surface Area: 68 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 104.2±3.0 cm3

Click to predict properties on the Chemicalize site


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