ChemSpider 2D Image | 2-(Methoxymethyl)-1,3-dithiane 1,3-dioxide | C6H12O3S2

2-(Methoxymethyl)-1,3-dithiane 1,3-dioxide

  • Molecular FormulaC6H12O3S2
  • Average mass196.288 Da
  • Monoisotopic mass196.022781 Da
  • ChemSpider ID21130530

More details:

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

1,3-Dioxyde de 2-(méthoxyméthyl)-1,3-dithiane [French] [ACD/IUPAC Name]
1,3-Dithiane, 2-(methoxymethyl)-, 1,3-dioxide [ACD/Index Name]
2-(Methoxymethyl)-1,3-dithian-1,3-dioxid [German] [ACD/IUPAC Name]
2-(Methoxymethyl)-1,3-dithiane 1,3-dioxide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 491.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 251.0±25.7 °C
Index of Refraction: 1.603
Molar Refractivity: 47.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.86
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.21
Polar Surface Area: 82 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 137.5±5.0 cm3

Click to predict properties on the Chemicalize site


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