ChemSpider 2D Image | 3-{[2-(Propylsulfanyl)ethyl]sulfanyl}propanoic acid | C8H16O2S2

3-{[2-(Propylsulfanyl)ethyl]sulfanyl}propanoic acid

  • Molecular FormulaC8H16O2S2
  • Average mass208.341 Da
  • Monoisotopic mass208.059174 Da
  • ChemSpider ID28593915

More details:

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

3-{[2-(Propylsulfanyl)ethyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
3-{[2-(Propylsulfanyl)ethyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{[2-(propylsulfanyl)éthyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[2-(propylthio)ethyl]thio]- [ACD/Index Name]
823235-27-4 [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: 363.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.0±6.0 kJ/mol
Flash Point: 173.8±22.3 °C
Index of Refraction: 1.531
Molar Refractivity: 56.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 6.08
ACD/KOC (pH 5.5): 58.30
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 183.2±3.0 cm3

Click to predict properties on the Chemicalize site


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