1.0 2016-05-19 03:39:36 UTC 2026-08-24 20:38:37 UTC 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonic acid SmallMolecule 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonic acid belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This organic acid and derivative has the chemical formula C8H5F13O3S and an average molecular weight of 428.16 g/mol. The compound is found in or released from 33 recorded sources. These include electrical and electronic equipment such as capacitors, cell phones, batteries, printed circuit boards, and wires and cables. It is also present in aquatic systems and sediments, specifically seawater, freshwater, surface water, and groundwater. Sources related to drinking water and water supply include bottled water, tap water, drinking water, and desalinated water. Additionally, it is found in wastewater, sanitation, and biosolids, including mine wastewater, industrial wastewater, wastewater treatment effluent, and unspecified wastewater. Other recorded sources include food contact materials and food packaging within the food, food processing, and cookware sector, as well as carpets, rugs, and synthetic textiles within the textiles, leather, and furnishings sector, among 8 more sectors. Recorded exposure routes for this compound include oral, inhalation, and touch. PFAS PMT 1H,1H,2H,2H-Perfluoroctansulfonat (H4PFOS) C8H5F13O3S 428.16 427.975181314 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid 27619-97-2 OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24) VIONGDJUYAYOPU-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives Organosulfonic acids Alkanesulfonic acids Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Sulfonyls Aliphatic acyclic compound Alkanesulfonic acid Alkyl fluoride Alkyl halide Hydrocarbon derivative Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organosulfonic acid Organosulfur compound Sulfonyl Aliphatic acyclic compounds Detected and Not Quantified logp 3.9 logp 3.01 ALOGPS logs -3.49 ALOGPS solubility 1.37e-01 g/l ALOGPS logp 3.92 ChemAxon pka_strongest_acidic -2.7 ChemAxon iupac 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid ChemAxon average_mass 428.16 ChemAxon mono_mass 427.975181314 ChemAxon smiles OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ChemAxon formula C8H5F13O3S ChemAxon inchi InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24) ChemAxon inchikey VIONGDJUYAYOPU-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 49.9 ChemAxon polarizability 22.54 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf3602940> 119688 106865