ChemSpider 2D Image | 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl sulfanylacetate | C10H7F13O2S

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl sulfanylacetate

  • Molecular FormulaC10H7F13O2S
  • Average mass438.206 Da
  • Monoisotopic mass437.995911 Da
  • ChemSpider ID35804593

More details:

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

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctyl-sulfanylacetat [German] [ACD/IUPAC Name]
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl sulfanylacetate [ACD/IUPAC Name]
Acetic acid, 2-mercapto-, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester [ACD/Index Name]
Sulfanylacétate de 3,3,4,4,5,5,6,6,7,7,8,8,8-tridécafluorooctyle [French] [ACD/IUPAC Name]
ACETIC ACID, MERCAPTO-, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYLESTER

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

Density: 1.6±0.1 g/cm3
Boiling Point: 242.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.9±3.0 kJ/mol
Flash Point: 100.1±27.3 °C
Index of Refraction: 1.345
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11489.95
ACD/KOC (pH 5.5): 28017.15
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 8556.79
ACD/KOC (pH 7.4): 20864.91
Polar Surface Area: 65 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 20.5±3.0 dyne/cm
Molar Volume: 282.2±3.0 cm3

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