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EC number: 210-765-4 | CAS number: 623-03-0
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 05.12.2013 - 13.12.2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- not specified
- Type of method:
- flask method
- Key result
- Water solubility:
- 245 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 96 h
- Temp.:
- 20 °C
- pH:
- 5
- Conclusions:
- Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
In a study according to OECD 105 the water solubility of 4-Chlorobenzonitrile was 245 mg/L. Therefore 4-Chlorobenzonitrile is classified as moderately soluble. - Executive summary:
A study according to OECD 105 ("Water Solubility") was performed to assume the water solubility of 4 -Chlorobenzonitrile. The result was water solubility of 245 mg/L. Therefore 4 -Chlorobenzonitrile is classified as moderate soluble.
Reference
In table 1 the results of the GC runs of the single runs as well as their mean values are summarised. Furthermore the ph value of each of the three samples was determined and stated.
Table 1: GC runs of the single runs, mean values and ph-values
No. |
ph-value |
water solubility [g/L] |
mean water solubility [g/L] |
sample 1 run a run b |
5 |
|
0.245 |
0.241 |
|||
0.249 |
|||
sample 2 run a run b |
5 |
|
0.236 |
0.240 |
|||
0.231 |
|||
sample 3 run a run b |
5 |
|
0.254 |
0.245 |
|||
0.263 |
According to the results no clear tendency of the water solubility as a function of the stirring time is observed. Therefore the water solubility of 4 -Chlorobenzonitrile is 0.245 g/L at 20 °C as the average of the mean values of all three samples.
Also the standard deviation was determined (Table 2).
Table 2: Deviation of the single runs from the mean value.
GC run |
Water solubility [g/L] |
Deviation from the mean value [%] |
Sample 1 / a |
0.241 |
- 1.6 |
Sample 1 / b |
0.249 |
+ 1.6 |
Sample 2 / a |
0.240 |
- 2.0 |
Sample 2 / b |
0.231 |
- 5.7 |
Sample 3 / a |
0.245 |
+/- 0.0 |
Sample 3 / b |
0.263 |
+ 7.3 |
Because all deviations were < 15 % the validity criteria were fulfilled.
Description of key information
A study according to OECD 105 ("Water Solubility") was performed to
assume the water solubility of 4 -Chlorobenzonitrile. The result was
water solubility of 245 mg/L. Therefore 4 -Chlorobenzonitrile is
classified as moderate soluble.
Also the calculated value for the water solubility of
4-Chlorobenzonitrile ranges between 0.11 g/l and 0.36 g/L at 25 °C,
indicating that the substance is moderatly soluble in water.
Key value for chemical safety assessment
- Water solubility:
- 0.245 g/L
- at the temperature of:
- 20 °C
Additional information
A study according to OECD 105 ("Water Solubility") was performed to assume the water solubility of 4 -Chlorobenzonitrile. The result was water solubility of 245 mg/L. Therefore 4 -Chlorobenzonitrile is classified as moderate soluble.
The calculated values for the watersolubility of 4 -Chlorobenzonitrile of 0.11 g/L (US EPA 2004) and 0.36 g/L (SIS 2004) also indicate that the substance is moderately soluble in water.
These data sources are deemed to be more reliable than the information reported in the test substance data sheet and the MSDS, respectively.
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