This is the supporting information for the journal article. This dataset is associated with the following publication: Rankin, K., S. Mabury, T. Jenkins, and J. Washington. A North American and global survey of perfluoroalkyl substances in surface soils: Distribution patterns and mode of occurrence. CHEMOSPHERE. Elsevier Science Ltd, New York, NY, USA, 161: 333–341, (2016).

The toxicity and environmental persistence of anthropogenic per- and poly-fluoroalkyl substances (PFAS) are of concern globally. To address legacy PFAS concerns in the US, industry developed numerous replacement PFAS that commonly are treated as confidential information. To investigate the distribution of PFAS in New Jersey (NJ), soils collected from across the state were subjected to nontargeted mass-spectral analyses. Ten chloro-perfluoro-polyether-carboxylates were tentatively identified, with ≥3 congeners in all samples. Nine congeners are ≥(CF2)7. Distinct chemical formulas and structures, as well as geographic distribution, suggest airborne transport from an industrial source. Lighter congeners dispersed more widely than heavier, with the most widely dispersed detected in an in-stock New Hampshire sample. Additional data were used to develop a legacy-PFAS fingerprint for historical PFAS sources in NJ. This dataset is associated with the following publication: Washington, J., C. Rosal, J. McCord, M. Strynar, A. Lindstrom, E. Bergman, S. Goodrow, H. Tadesse, D. Pilant, B. Washington, M.J. Davis, B. Stuart, and T. Jenkins. Nontargeted mass-spectral detection of chloroperfluoropolyether carboxylates in New Jersey soils. SCIENCE. American Association for the Advancement of Science (AAAS), Washington, DC, USA, 368(6495): 1103-1107, (2020).

The toxicity and environmental persistence of anthropogenic per- and poly-fluoroalkyl substances (PFAS) are of concern globally. To address legacy PFAS concerns in the US, industry developed numerous replacement PFAS that commonly are treated as confidential information. To investigate the distribution of PFAS in New Jersey (NJ), soils collected from across the state were subjected to nontargeted mass-spectral analyses. Ten chloro-perfluoro-polyether-carboxylates were tentatively identified, with ≥3 congeners in all samples. Nine congeners are ≥(CF2)7. Distinct chemical formulas and structures, as well as geographic distribution, suggest airborne transport from an industrial source. Lighter congeners dispersed more widely than heavier, with the most widely dispersed detected in an in-stock New Hampshire sample. Additional data were used to develop a legacy-PFAS fingerprint for historical PFAS sources in NJ. This dataset is associated with the following publication: Washington, J., C. Rosal, J. McCord, M. Strynar, A. Lindstrom, E. Bergman, S. Goodrow, H. Tadesse, D. Pilant, B. Washington, M.J. Davis, B. Stuart, and T. Jenkins. Nontargeted mass-spectral detection of chloroperfluoropolyether carboxylates in New Jersey soils. SCIENCE. American Association for the Advancement of Science (AAAS), Washington, DC, USA, 368(6495): 1103-1107, (2020).

Supporting Info. This dataset is associated with the following publication: Washington , J., and T. Jenkins. Abiotic Hydrolysis of Fluorotelomer-Based Polymers as a Source of Perfluorocarboxylates at the Global Scale. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 49(24): 14129-14135, (2015).

Supporting Info. This dataset is associated with the following publication: Washington , J., and T. Jenkins. Abiotic Hydrolysis of Fluorotelomer-Based Polymers as a Source of Perfluorocarboxylates at the Global Scale. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 49(24): 14129-14135, (2015).

Data for per- and polyfluoroalkyl substances (PFAS) and related chemical and physical characteristics are presented from 30 soil sampling locations within the State of New Hampshire. A total of 15 sites were chosen based on the results of sampling efforts published in Santangelo and others(2022). Sites with relatively high concentrations of PFAS observed during the first study were selected for resampling to better understand the range of concentrations of PFAS in the area. At each of the 15 sites, soil samples were collected as near to the original site as possible (site A), and a second set of soil samples were collected at a secondary location (site B) 50 to 600 feet away from the original location for a total of 30 sampling locations. At each location, soils were collected in 6-inch intervals to a maximum depth of 12 inches. Soil horizons were described using the National Soil Survey Center Natural Resources Conservation Service U.S. Department of Agriculture Field Book for Describing and Sampling Soils (Schoeneberger and others, 2012). Analyses included 36 PFAS compounds, total organic carbon (TOC), moisture content, pH, and autoclaved-citrate extractable protein. Quality control samples included source-solution blanks, equipment blanks, and replicates (duplicates). References: Santangelo, L.M., Tokranov, A.K., Welch, S.M., Schlosser, K.E.A., Marts, J.M., Drouin, A.F., Ayotte, J.D., Rousseau, A.E., and Harfmann, J.L., 2022, Statewide survey of shallow soil concentrations of per- and polyfluoroalkyl substances (PFAS) and related chemical and physical data across New Hampshire, 2021: U.S. Geological Survey data release, https://doi.org/10.5066/P9KG38B5. Schoeneberger, P.J., Wysocki, D.A., Benham, E.C., and Soil Survey Staff, 2012, Field book for describing and sampling soils, Version 3.0: Natural Resources Conservation Service, National Soil Survey Center, Lincoln, NE, https://www.nrcs.usda.gov/resources/guides-and-instructions/field-book-for-describing-and-sampling-soils.

In the current study, soils obtained from a collaboration with a fluorotelomer-based polymer manufacturing facility in New Jersey, USA were subjected to both targeted and non-targeted analysis of PFCA precursors. Surface soil samples were screened for twenty-two volatile PFAS precursors using GC-positive chemical ionization (PCI)-MS (targeted) including eight nFTOHs, four secondary FTOHs (sFTOHs), six FT-acrylates (FT-Acrs) and four FT-acetates (Table S1) as well as the concentrations of their terminal transformation products (i.e., PFCAs, n=16) determined by LC-MS/MS. Targeted analysis confirmed the presence of these series, specifically the nFTOHs, and non-targeted analysis highlighted additional known and novel industrial manufacturing by-products likely unintentionally produced during the FT-polymerization process. This dataset is associated with the following publication: Henderson, W., M. Evich, J. Washington, T. Ward, B. Schumacher, J. Zimmerman, Y. Kim, E. Weber, A. Williams, M. Smeltz, and D. Glinski. Analysis of Legacy and Novel Neutral Per- and Polyfluoroalkyl Substances in Soils from an Industrial Manufacturing Facility. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 58(24): 10729–10739, (2024).

This file contains data from accumulation of chloro perfluoro polyether carboxylate (Cl-PFPECA) and legacy perfluorocarboxylate PFAS in native vegetation and subsoil samples collected in New Jersey by New Jersey state government personnel. Samples were originally processed and extracted in Athens, GA EPA/ORD/NERL/EMMD laboratory by Tom Jenkins and John Washington. Samples were analyzed for PFAS on the Waters LC-MS/MS instruments in Athens, GA EPA/ORD/CEMM/EPD laboratory by Mary Davis, Marina Evich, and John Washington. Instrument output was reviewed and optimized by Mary Davis, Marina Evich, and John Washington. This dataset is associated with the following publication: Davis, M., M. Evich, S. Goodrow, and J. Washington. Environmental Fate of Cl-PFPECAs: Accumulation of Novel and Legacy Perfluoroalkyl Compounds in Real-World Vegetation and Subsoils. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 57(24): 8994–9004, (2023).

This file contains data from accumulation of chloro perfluoro polyether carboxylate (Cl-PFPECA) and legacy perfluorocarboxylate PFAS in native vegetation and subsoil samples collected in New Jersey by New Jersey state government personnel. Samples were originally processed and extracted in Athens, GA EPA/ORD/NERL/EMMD laboratory by Tom Jenkins and John Washington. Samples were analyzed for PFAS on the Waters LC-MS/MS instruments in Athens, GA EPA/ORD/CEMM/EPD laboratory by Mary Davis, Marina Evich, and John Washington. Instrument output was reviewed and optimized by Mary Davis, Marina Evich, and John Washington. This dataset is associated with the following publication: Davis, M., M. Evich, S. Goodrow, and J. Washington. Environmental Fate of Cl-PFPECAs: Accumulation of Novel and Legacy Perfluoroalkyl Compounds in Real-World Vegetation and Subsoils. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 57(24): 8994–9004, (2023).

Per- and polyfluoroalkyl substances (PFAS) and related chemical and physical data are presented from 100 shallow soil sampling locations within the State of New Hampshire. Sites were randomly determined through an equal-area grid approach (Scott, 1990) targeting undisturbed areas, which included lands classified by the 2016 National Land Cover Database (Dewitz, 2019) as forested, shrubland, scrubland, grassland, herbaceous, wetlands, or barren land. Sampling sites were located at the closest point to the random location identified, where access and permission were available. To limit the potential for sampling results to be influenced by local releases of PFAS, a 500-meter buffer around parcels associated with known or potential PFAS sources was also included. At all 100 locations, samples were collected from 0 (land surface) to 6 inches in depth. At 50 locations, samples from 6 to 12 inches depth were collected, while at 6 of these locations soil profiles were collected in 6-inch increments to a maximum of 36 inches in depth. Soil horizons within the sampling intervals were described using the National Soil Survey Center Natural Resources Conservation Service U.S. Department of Agriculture Field Book for Describing and Sampling Soils (Schoeneberger et al., 2012). Analyses included 36 PFAS compounds, 36 PFAS compounds post-total oxidizable precursor assay (TOPA), total organic carbon (TOC), moisture content, pH, and autoclaved-citrate extractable protein. Quality control samples included source-solution blanks, equipment blanks, and replicates. References: Dewitz, J., 2019, National Land Cover Database (NLCD) 2016 Products (ver. 2.0, July 2020): U.S. Geological Survey data release, https://doi.org/10.5066/P96HHBIE. Schoeneberger, P.J., Wysocki, D.A., Benham, E.C., and Soil Survey Staff, 2012, Field book for describing and sampling soils, Version 3.0. Natural Resources Conservation Service, National Soil Survey Center, Lincoln, NE. Scott, J.C., 1990, Computerized stratified random site-selection approaches for design of a ground-water-quality sampling network: U.S. Geological Survey Water-Resources Investigations Report 90-4101, 109 p., http://pubs.er.usgs.gov/publication/wri904101.