Benzeneacetic acid, α,4-dicyano-2,3,5,6-tetrafluoro-, ethyl ester, ion(1-), potassium

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2018-04-26

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

please refer to 'Attached justification'

Guideline:

other: ECHA Guidance R.6

Principles of method if other than guideline:

- Software tool(s) used including version: EPIWIN v4.1
- Model(s) used: WSKOWWIN v1.42
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'

Specific details on test material used for the study:

CCOC(OK)=C(C(#N))c1c(F)c(F)c(C(#N))c(F)c1F

Key result

Water solubility:

239.2 g/L

Temp.:

25 °C

Remarks on result:

other: pH not specified in model

Conclusions:

The water solubility of the substance was predicted to be 239.2 g/L at 25°C.

Executive summary:

The water solubility of the registered substance was predicted using WSKOWWIN v1.42, implemented in EPIWIN v4.1. It was predicted to be 239.2 g/L at 25°C.

Description of key information

In an in-house semi-quantitative hand trial 5.00 g of CPR-1 Stage 1 (batch 2674-3-01-002-03) are suspended in 100.0 g of E-water and stirred for 4 hours at 20 ° C.
The suspension is filtered through a glass frit and the filter residue for 6 h at 40 ° C in a vacuum oven dried.
There remains 1.85 g of dry residue (CPR-1 Stage 1).

The water solubility was determined to be 31.5 g/L at 20°C

Key value for chemical safety assessment

Water solubility:

31.5 g/L

at the temperature of:

20 °C

Additional information

The in-house semi-quantitative hand trial is supported by QSAR prediction.

The water solubility of the registered substance was predicted using WSKOWWIN v1.42, implemented in EPIWIN v4.1. It was predicted to be 239.2 g/L at 25°C.

So it can be concluded that the test item exhibits a good water solubility.