N-1-naphthylaniline

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Data taken from BUA report, peer-reviewed; original report not available for assessment

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

not specified

Type of method:

other: no data

Water solubility:

0.003 g/L

Temp.:

20 °C

pH:

>= 7.9 - <= 8

Reference 2

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

19 Oct 2020

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:

1. SOFTWARE
EpiSuite v4.11 (US EPA, 2012)

2. MODEL (incl. version number)
WSKOW v1.42, WATERNT v1.01

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N(c3ccccc3)c1cccc2ccccc12

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to 'Attached justification'

5. APPLICABILITY DOMAIN
Please refer to 'Attached justification'

Guideline:

other: ECHA Guidance R.6

Principles of method if other than guideline:

- Software tool(s) used including version: Estimated Programs Interface Suite TM v4.11 (US EPA, United States Environmental Protection Agency, Washington DC, USA.)
- Model(s) used: WSKOW v1.42, WATERNT (v1.01)
- Model description: see field 'Justification for type of information' and 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information' and 'Attached justification'

GLP compliance:

not specified

Remarks:

calculation

Type of method:

other: calculation

Specific details on test material used for the study:

N(c3ccccc3)c1cccc2ccccc12

Key result

Water solubility:

1.256 mg/L

Temp.:

25 °C

Remarks on result:

other: no pH available

Remarks:

estimate from fragments (WATERNT v1.01)

Key result

Water solubility:

8.99 mg/L

Temp.:

25 °C

Remarks on result:

other: no pH available

Remarks:

estimate from log Kow, WSKOW v1.41

Conclusions:

The water solubility was predicted to be 1.256 mg/L and 8.99 mg/L using the fragment and logKow method, respectively.

Executive summary:

The water solubility was predicted based on an experimental logKow implemented in the model database by the model WSKOW v1.42 and based on fragments using the model WATERNT v1.01 (both models are implemented in EpiSuite v4.11). The water solubility was predicted to be 1.256 mg/L and 8.99 mg/L using the fragment method and logKow method, respectively. The predictions are in the applicability domain of the models.

Reference 3

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Basic data given

Qualifier:

no guideline followed

Principles of method if other than guideline:

extraction with hexane, analysis by spectrophotometry

GLP compliance:

not specified

Key result

Water solubility:

2.76 mg/L

Temp.:

17 °C

Remarks on result:

other: no pH available

Key result

Water solubility:

1.92 mg/L

Temp.:

5 °C

Remarks on result:

other: no pH available

Key result

Water solubility:

5.2 mg/L

Temp.:

35 °C

Remarks on result:

other: no pH available

Solubilisation as a function of time:

After 24, 72 and 96 h, the following concentrations (dissolved) were determined: 3.64 mg/L, 5.04 mg/L and 5.56 mg/L, respectively.

Description of key information

3 mg/L at 20°C