Registration Dossier
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EC number: 288-003-5 | CAS number: 85631-54-5
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
log K air/water: 0.04 (LSER method)
Key value for chemical safety assessment
Additional information
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.
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