ChemSpider 2D Image | 3-(Allyldisulfanyl)propanoic acid | C6H10O2S2

3-(Allyldisulfanyl)propanoic acid

  • Molecular FormulaC6H10O2S2
  • Average mass178.272 Da
  • Monoisotopic mass178.012222 Da
  • ChemSpider ID57609333

More details:

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

3-(Allyldisulfanyl)propanoic acid [ACD/IUPAC Name]
3-(Allyldisulfanyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(allyldisulfanyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(2-propen-1-yldithio)- [ACD/Index Name]
3-(prop-2-en-1-yldisulfanyl)propanoic acid
805983-04-4 [RN]
ACS81
MFCD20661058

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

Density: 1.2±0.1 g/cm3
Boiling Point: 288.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.1±6.0 kJ/mol
Flash Point: 128.3±25.4 °C
Index of Refraction: 1.562
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 19.70
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 145.2±3.0 cm3

Click to predict properties on the Chemicalize site


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