ChemSpider 2D Image | Ethyl {[2-(phenylsulfonyl)ethyl]sulfanyl}acetate | C12H16O4S2

Ethyl {[2-(phenylsulfonyl)ethyl]sulfanyl}acetate

  • Molecular FormulaC12H16O4S2
  • Average mass288.383 Da
  • Monoisotopic mass288.049011 Da
  • ChemSpider ID31519273

More details:

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

{[2-(Phénylsulfonyl)éthyl]sulfanyl}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[2-(phenylsulfonyl)ethyl]thio]-, ethyl ester [ACD/Index Name]
Ethyl {[2-(phenylsulfonyl)ethyl]sulfanyl}acetate [ACD/IUPAC Name]
Ethyl-{[2-(phenylsulfonyl)ethyl]sulfanyl}acetat [German] [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: 453.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.1±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 73.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.85
ACD/KOC (pH 5.5): 414.49
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.85
ACD/KOC (pH 7.4): 414.49
Polar Surface Area: 94 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 231.2±3.0 cm3

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