ChemSpider 2D Image | 2-{[2-(Methylsulfonyl)ethyl]sulfinyl}butanoic acid | C7H14O5S2

2-{[2-(Methylsulfonyl)ethyl]sulfinyl}butanoic acid

  • Molecular FormulaC7H14O5S2
  • Average mass242.313 Da
  • Monoisotopic mass242.028259 Da
  • ChemSpider ID43675783

More details:

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

2-{[2-(Methylsulfonyl)ethyl]sulfinyl}butanoic acid [ACD/IUPAC Name]
2-{[2-(Methylsulfonyl)ethyl]sulfinyl}butansäure [German] [ACD/IUPAC Name]
Acide 2-{[2-(méthylsulfonyl)éthyl]sulfinyl}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[2-(methylsulfonyl)ethyl]sulfinyl]- [ACD/Index 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: 574.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 301.0±25.9 °C
Index of Refraction: 1.547
Molar Refractivity: 53.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 169.6±3.0 cm3

Click to predict properties on the Chemicalize site


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