ChemSpider 2D Image | Ethyl 3,3-bis(ethylsulfanyl)propanoate | C9H18O2S2

Ethyl 3,3-bis(ethylsulfanyl)propanoate

  • Molecular FormulaC9H18O2S2
  • Average mass222.368 Da
  • Monoisotopic mass222.074814 Da
  • ChemSpider ID28549149

More details:

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

3,3-Bis(éthylsulfanyl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3,3-bis(ethylsulfanyl)propanoate [ACD/IUPAC Name]
Ethyl-3,3-bis(ethylsulfanyl)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3,3-bis(ethylthio)-, ethyl ester [ACD/Index Name]
195000-90-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 315.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 142.4±13.1 °C
Index of Refraction: 1.500
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.43
ACD/KOC (pH 5.5): 2041.54
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.43
ACD/KOC (pH 7.4): 2041.54
Polar Surface Area: 77 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 208.9±3.0 cm3

Click to predict properties on the Chemicalize site


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