ChemSpider 2D Image | 3-({2-[(2-Methyl-2-propanyl)sulfonyl]ethyl}sulfanyl)-1,2-propanediol | C9H20O4S2

3-({2-[(2-Methyl-2-propanyl)sulfonyl]ethyl}sulfanyl)-1,2-propanediol

  • Molecular FormulaC9H20O4S2
  • Average mass256.383 Da
  • Monoisotopic mass256.080292 Da
  • ChemSpider ID49945449

More details:

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

1,2-Propanediol, 3-[[2-[(1,1-dimethylethyl)sulfonyl]ethyl]thio]- [ACD/Index Name]
3-({2-[(2-Methyl-2-propanyl)sulfonyl]ethyl}sulfanyl)-1,2-propandiol [German] [ACD/IUPAC Name]
3-({2-[(2-Methyl-2-propanyl)sulfonyl]ethyl}sulfanyl)-1,2-propanediol [ACD/IUPAC Name]
3-({2-[(2-Méthyl-2-propanyl)sulfonyl]éthyl}sulfanyl)-1,2-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.1±6.0 kJ/mol
Flash Point: 245.4±25.9 °C
Index of Refraction: 1.525
Molar Refractivity: 63.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.76
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.76
Polar Surface Area: 108 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 207.5±3.0 cm3

Click to predict properties on the Chemicalize site


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