ChemSpider 2D Image | 5-Hydroxy-1,3-oxathiolan-2-one | C3H4O3S

5-Hydroxy-1,3-oxathiolan-2-one

  • Molecular FormulaC3H4O3S
  • Average mass120.127 Da
  • Monoisotopic mass119.988113 Da
  • ChemSpider ID61035187

More details:

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

1,3-Oxathiolan-2-one, 5-hydroxy- [ACD/Index Name]
5-Hydroxy-1,3-oxathiolan-2-on [German] [ACD/IUPAC Name]
5-Hydroxy-1,3-oxathiolan-2-one [ACD/IUPAC Name]
5-Hydroxy-1,3-oxathiolan-2-one [French] [ACD/IUPAC Name]
1823338-44-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 247.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.3±6.0 kJ/mol
Flash Point: 103.4±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 25.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.52
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.52
Polar Surface Area: 72 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 72.7±3.0 cm3

Click to predict properties on the Chemicalize site


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