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EC number: 235-834-6 | CAS number: 13001-38-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- December 23, 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 33.903
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not estimated
- Type:
- log Pow
- Partition coefficient:
- ca. 1.527
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not estimated
- Conclusions:
- Average Pow = 33.9025 (20 °C), log Pow = 1.527 (20 °C)
- Executive summary:
Method
Partition coefficient was determined by means of shake flask method, following OECD guideline 107. Partition coefficient is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting in two largely immiscible solvents.
Result
Average Pow = 33.9025 at 20 °C
Log Pow = 1.527 at 20 °C
Reference
At 96 hours values reached equilibrium, and so this value was considered for final calculations making duplicate determinations of every ratio o/w. Concentration of mother solution: W 1 = 0.0111 g / 100ml = 0.1110 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.0004 | 0.0126 | 29.23260 | 1.465867 | 1.4659 |
| 70 / 30 | 0.0004 | 0.0126 | 29.23260 | 1.465867 | |
| 50 / 50 | 0.0004 | 0.0126 | 33.66670 | 1.52720 | 1.5272 |
| 50 / 50 | 0.0004 | 0.0126 | 33.66670 | 1.52720 | |
| 30 / 70 | 0.0003 | 0.0127 | 36.68120 | 1.564443 | 1.5883 |
| 30 / 70 | 0.0003 | 0.0127 | 40.93550 | 1.6121 | |
| pH of the test solution: | n.a | ||||
| Average Pow | 33.9025 | Average log Pow | 1.527 | ||
| Std. dev. Pow | 4.7922 | Std. dev. log Pow | 0.061 | ||
Description of key information
1.527 (Pow: 33.9025) at 20 °C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.527
- at the temperature of:
- 20 °C
Additional information
Shake Flask method - OECD guideline 107.
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