ChemSpider 2D Image | 3-(Methylsulfanyl)propyl 3-(methylsulfanyl)propanoate | C8H16O2S2

3-(Methylsulfanyl)propyl 3-(methylsulfanyl)propanoate

  • Molecular FormulaC8H16O2S2
  • Average mass208.341 Da
  • Monoisotopic mass208.059174 Da
  • ChemSpider ID62844041

More details:

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

3-(Méthylsulfanyl)propanoate de 3-(méthylsulfanyl)propyle [French] [ACD/IUPAC Name]
3-(Methylsulfanyl)propyl 3-(methylsulfanyl)propanoate [ACD/IUPAC Name]
3-(Methylsulfanyl)propyl-3-(methylsulfanyl)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-(methylthio)-, 3-(methylthio)propyl ester [ACD/Index Name]
54732-81-9 [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: 307.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 140.7±11.7 °C
Index of Refraction: 1.504
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.28
ACD/KOC (pH 5.5): 623.05
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.28
ACD/KOC (pH 7.4): 623.05
Polar Surface Area: 77 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 192.0±3.0 cm3

Click to predict properties on the Chemicalize site


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