ChemSpider 2D Image | 5-Methyl-5-nitro-1,3,2-dioxathiolane-4,4-diol 2-oxide | C3H5NO7S

5-Methyl-5-nitro-1,3,2-dioxathiolane-4,4-diol 2-oxide

  • Molecular FormulaC3H5NO7S
  • Average mass199.139 Da
  • Monoisotopic mass198.978668 Da
  • ChemSpider ID67030284

More details:

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

1,3,2-Dioxathiolane-4,4-diol, 5-methyl-5-nitro-, 2-oxide [ACD/Index Name]
2-Oxyde de 5-méthyl-5-nitro-1,3,2-dioxathiolane-4,4-diol [French] [ACD/IUPAC Name]
5-Methyl-5-nitro-1,3,2-dioxathiolan-4,4-diol-2-oxid [German] [ACD/IUPAC Name]
5-Methyl-5-nitro-1,3,2-dioxathiolane-4,4-diol 2-oxide [ACD/IUPAC Name]
2-nitropropanediolsulfite

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

Density: 2.2±0.1 g/cm3
Boiling Point: 454.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 228.9±28.7 °C
Index of Refraction: 1.698
Molar Refractivity: 35.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 147.4±5.0 dyne/cm
Molar Volume: 91.7±5.0 cm3

Click to predict properties on the Chemicalize site


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