ChemSpider 2D Image | Perfluorooctanesulfonic acid | C8HF17O3S

Perfluorooctanesulfonic acid

  • Molecular FormulaC8HF17O3S
  • Average mass500.130 Da
  • Monoisotopic mass499.937500 Da
  • ChemSpider ID67068

More details:

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

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluor-1-octansulfonsäure [German] [ACD/IUPAC Name]
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid [ACD/IUPAC Name]
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
1763-23-1 [RN]
1813859 [Beilstein]
1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro- [ACD/Index Name]
1-perfluorooctanesulfonic acid
200-659-6 [EINECS]
217-179-8 [EINECS]
9H2MAI21CL
More...

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

MFCD00042454 [DBID]
77283_FLUKA [DBID]
AIDS155899 [DBID]
AIDS-155899 [DBID]
EF 101 [DBID]
FC 95 [DBID]
HSDB 7099 [DBID]
NSC18405 [DBID]
  • Predicted Physico-chemical Properties
  • Miscellaneous

    • Toxicity:

      Organic Compound; Organofluoride; Pollutant; Metabolite; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D3899

    • Safety:

      WARNING: Irritates lungs, eyes, skin Alfa Aesar B23131

    • Chemical Class:

      A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. ChEBI CHEBI:39421

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.304
Molar Refractivity: 51.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 63 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 19.6±3.0 dyne/cm
Molar Volume: 272.1±3.0 cm3

Click to predict properties on the Chemicalize site


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