ChemSpider 2D Image | (5-Methyl-2-oxo-1,3-dioxol-4-yl)methanesulfinic acid | C5H6O5S

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methanesulfinic acid

  • Molecular FormulaC5H6O5S
  • Average mass178.163 Da
  • Monoisotopic mass177.993591 Da
  • ChemSpider ID97073025

More details:

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

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methanesulfinic acid [ACD/IUPAC Name]
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methansulfinsäure [German] [ACD/IUPAC Name]
1,3-Dioxole-4-methanesulfinic acid, 5-methyl-2-oxo- [ACD/Index Name]
Acide (5-méthyl-2-oxo-1,3-dioxol-4-yl)méthanesulfinique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 364.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.1±6.0 kJ/mol
Flash Point: 174.2±30.7 °C
Index of Refraction: 1.616
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 83.8±3.0 dyne/cm
Molar Volume: 104.6±3.0 cm3

Click to predict properties on the Chemicalize site


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