ChemSpider 2D Image | oxathiolan-5-one | C3H4O2S

oxathiolan-5-one

  • Molecular FormulaC3H4O2S
  • Average mass104.128 Da
  • Monoisotopic mass103.993202 Da
  • ChemSpider ID25946726

More details:

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

1,2-Oxathiolan-5-on [German] [ACD/IUPAC Name]
1,2-Oxathiolan-5-one [ACD/Index Name] [ACD/IUPAC Name]
1,2-Oxathiolan-5-one [French] [ACD/IUPAC Name]
oxathiolan-5-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 152.4±23.0 °C at 760 mmHg
Vapour Pressure: 3.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.9±3.0 kJ/mol
Flash Point: 68.0±10.6 °C
Index of Refraction: 1.539
Molar Refractivity: 23.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.67
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.67
Polar Surface Area: 52 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 75.7±3.0 cm3

Click to predict properties on the Chemicalize site


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