2-Propenoic acid, γ-ω-perfluoro-C8-14-alkyl esters

Endpoint summary

Additional information

Adsorption / desorption

For the substance C8-2 FTOH (fluorinated telomer alcohol, CAS No. 678-39-7) adsorption coefficients on quartz as well as logarithmic partition coefficients humic acid-air were determined using the inverse gas chromatography (ICG) method.

Versions for other alcohols (cut + paste):

C4-2 FTOH:

Short description of key information:

Koc (m3/m2), quartz 90% relative humidity:

9.19E-03 at 5 °C

3.82E-03 at 15 °C

1.05E-03 at 25 °C

4.86E-04 at 35 °C

1.84E-04 at 45 °C

8.75E-05 at 55 °C

ln K HA/air (L/kg) at 98% relative humidity of HA (humic acid):

11.3 at 5 °C

10.5 at 15 °C

9.62 at 25 °C

8.69 at 35 °C

7.9 at 45 °C

Discussion:

For the substance C4-2 FTOH (fluorinated telomer alcohol) adsorption coefficients on quartz as well as logarithmic partition coefficients humic acid-air were determined using the inverse gas chromatography (ICG) method.

C6-2 FTOH:

Short description of key information:

Koc (m3/m2), quartz 90% relative humidity:

5.30E-02 at 5 °C

2.17E-02 at 15 °C

6.11E-03 at 25 °C

2.40E-03 at 35 °C

7.73E-04 at 45 °C

3.43E-04 at 55 °C

ln K HA/air (L/kg) at 98% relative humidity of HA (humic acid):

12.4 at 15 °C

11.2 at 25 °C

10.3 at 35 °C

9.41 at 45 °C

Discussion:

For the substance C6-2 FTOH (fluorinated telomer alcohol) adsorption coefficients on quartz as well as logarithmic partition coefficients humic acid-air were determined using the inverse gas chromatography (ICG) method.

C10-2 FTOH:

Short description of key information:

Koc (m3/m2), quartz 90% relative humidity:

1.134 at 15 °C (extrapolated)

2.56E-01 at 25 °C

5.05E-02 at 35 °C

1.59E-02 at 45 °C

4.69E-03 at 55 °C

Discussion:

For the substance C10-2 FTOH (fluorinated telomer alcohol) adsorption coefficients on quartz were determined using the inverse gas chromatography (ICG) method.

Key study regarding OECD Guideline 106:

The adsorption and desorption isotherm showed a strong positive monotonic relationship between log Ce and log X/m, indicated by the correlation coefficients being close to 1. These values characterise the test substance as slightly mobile (Koc 500-4000) to non-mobile (Koc>4000) in the four soils and one sediment used in this study. Mass balance for the four soils and one sediment were in the range 86 to 96%.

Henry's Law constant

The air/water partition coefficient at ambient temperature of the substance C8-2 FTOH (fluorinated telomer alcohol, CAS No. 678 -39 -7) was calculated with the use of the LSER approach. The coefficients for the underlying Abraham equation were determined experimentally. In addition, QSAR calculations with 4 different models were performed. The results for 4 fluorinated telomer alcohols

are presented in the table:

 

Method	C4-2 FTOH	C6-2 FTOH	C8-2 FTOH	C10-2 FTOH
Experiment	-1.52	-0.56	-	-
LSER	-1.51	-0.72	0.04	0.84
COSMOTherm	-1.37	-0.73	-0.31	0.65
SPARC	-1.88	-1.47	-0.83	0.01
HENRYWIN I	-0.65	0.79	2.23	3.67
HENRYWIN II	-0.17	1.83	3.83	5.83

 

Comparison of the experimental and calculated data for C4-2 and C6-2 FTOH reveals that the LSER calculations result in the most reliable estimation. They are based on a large number of different experimental partition data for the Fluoro-telomers.