ChemSpider 2D Image | 1,1'-(1,2-Ethanediyldisulfanediyl)diacetone | C8H14O2S2

1,1'-(1,2-Ethanediyldisulfanediyl)diacetone

  • Molecular FormulaC8H14O2S2
  • Average mass206.326 Da
  • Monoisotopic mass206.043518 Da
  • ChemSpider ID28708919

More details:

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

1,1'-(1,2-Ethandiyldisulfandiyl)diaceton [German] [ACD/IUPAC Name]
1,1'-(1,2-Ethanediyldisulfanediyl)diacetone [ACD/IUPAC Name]
1,1'-(1,2-Éthanediyldisulfanediyl)diacétone [French] [ACD/IUPAC Name]
2-Propanone, 1,1'-[1,2-ethanediylbis(thio)]bis- [ACD/Index Name]
1-({2-[(2-oxopropyl)sulfanyl]ethyl}sulfanyl)propan-2-one
1,1'-(Ethane-1,2-diyldisulfanediyl)di(propan-2-one)
91875-37-5 [RN]
MFCD29033733

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

Density: 1.1±0.1 g/cm3
Boiling Point: 316.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.8±3.0 kJ/mol
Flash Point: 133.6±15.2 °C
Index of Refraction: 1.516
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.92
ACD/KOC (pH 5.5): 108.82
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.92
ACD/KOC (pH 7.4): 108.82
Polar Surface Area: 85 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 182.8±3.0 cm3

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