Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Determination of Octanol-Air Partition Coefficients (KOA) of Fluorotelomer Acrylates, Perfluoroalkyl Sulfonamids, and Perfluoroalkylsulfonamido Ethanols

Dreyer, A.[Annekatrin], Langer, V.[Vera], Ebinghaus, R.[Ralf]
J. Chem. Eng. Data 2009, 54, 11, 3022-3025
ABSTRACT
Octanol-air partition coefficients (KOA) for three fluorotelomer acrylates (6:2 FTA, 8:2 FTA, 10:2 FTA), two perfluoroalkyl sulfonamides (n-methyl perfluorooctane sulfonamide (MeFOSA), n-ethyl perfluorooctane sulfonamide (EtFOSA)), and two perfluoroalkyl sulfonamido ethanols (n-methyl perfluorooctane sulfonamido ethanol (MeFOSE), n-ethyl perfluorooctane sulfonamido ethanol (EtFOSE)) were determined over a temperature range from (278 to 313) K using a modified generator column method. The KOA values were calculated as the ratio of the target analyte concentrations in octanol to the target analyte concentrations in octanol saturated air. Calibrated log KOA values at 298 K ranged from 4.5 (6:2 FTA) to 6.7 (EtFOSE). Log KOA values decreased with increasing temperature and increased in the order of 6:2 FTA, 8:2 FTA, 10:2 FTA, MeFOSA, MeFOSE, EtFOSA, EtFOSE. The combined uncertainty of the method applied ranged from 5.1 % (6:2 FTA) to 17.6 % (MeFOSA). The relative extended uncertainty (P = 95 %) ranged from 11.6 % (6:2 FTA) to 39.8 % (MeFOSA), respectively.
Compounds
# Formula Name
1 C11H7F13O2 perfluorohexylethyl acrylate
2 C13H7F17O2 2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester
3 C15H7F21O2 perfluorodecylethyl acrylate
4 C9H4F17NO2S n-methyl perfluorooctane sulfonamide
5 C10H6F17NO2S n-ethyl perfluorooctane sulfonamide
6 C11H8F17NO3S n-methyl perfluorooctane sulfonamidoethanol
7 C12H10F17NO3S n-ethyl perfluorooctane sulfonamido ethanol
8 C8H18O octan-1-ol
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 1; Liquid
  • Gas
  • Liquid
  • SPECTR
  • 8
  • POMD
  • 8
  • 2
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 2; Liquid
  • Gas
  • Liquid
  • SPECTR
  • 8
  • POMD
  • 8
  • 3
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 3; Liquid
  • Gas
  • Liquid
  • SPECTR
  • 8
  • POMD
  • 8
  • 4
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 4; Liquid
  • Gas
  • Liquid
  • SPECTR
  • 7
  • POMD
  • 8
  • 5
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 5; Liquid
  • Gas
  • Liquid
  • SPECTR
  • 7
  • POMD
  • 8
  • 6
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 6; Liquid
  • Gas
  • Liquid
  • SPECTR
  • 7
  • POMD
  • 8
  • 7
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 7; Liquid
  • Gas
  • Liquid
  • SPECTR
  • 7