1,1,1-triethoxy-N,N-diethylsilanamine

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Study period:

Between 20 February and 28 February 2008.

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Principles of method if other than guideline:

An estimation was performed by a fragment constant methodology using the specialized chemical estimation software, WSKOWWIN, version 1.41, © 2000 US Environmental Protection Agency. The software was validated with reference substances which had common or similar functional groups present as the test material. However, the degree of validation possible was limited, as only two reference substances could be found, and both of these only contained a similar amine functionality; no reference compounds were found containing a similar silane functionality. Therefore, the calculation of water solubility can only be used with caution.

GLP compliance:

yes (incl. QA statement)

Type of method:

other: fragment constant methodology

Test material

Test material information

Constituent 1

Reference substance name:

diethyl(triethoxysilyl)amine

EC Number:

700-051-5

Cas Number:

35077-00-0

Molecular formula:

C10H25NO3Si

IUPAC Name:

diethyl(triethoxysilyl)amine

Results and discussion

Water solubility

Key result

Water solubility:

10.7 g/L

Conc. based on:

other: Not relevant

Temp.:

25 °C

pH:

7

Remarks on result:

other: calculation method

Remarks:

pH not measured

Details on results:

Using the software, the test material was estimated to have a water solubility of 10.7 g/l at 25 deg C. The calculation is presented in Attachment 1.

Any other information on results incl. tables

The water solubility was estimated by a fragment constant methodology using the specialized chemical estimation software, WSKOWWIN, version 1.41, © 2000 US Environmental Protection Agency.  The estimation for the test material was 10.7 g/l at 25°C.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The water solubility was estimated by a fragment constant methodology using the specialized chemical estimation software, WSKOWWIN, version 1.41, © 2000 US Environmental Protection Agency. The estimation for the test material was 10.7 g/l at 25°C.

Executive summary:

No determination of water solubility was possible by Method A6 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC) due to the instability of the test material in the presence of water.

From information supplied by the Sponsor, the test material was known to react with water (and water in the atmosphere).  Such a reaction with water invalidated even a short-term visual assessment of the solubility of the test material in water, as the results would inevitably be influenced by hydrolysis.

The water solubility was estimated by a fragment constant methodology using the specialized chemical estimation software, WSKOWWIN, version 1.41, © 2000 US Environmental Protection Agency.  The estimation for the test material was 10.7 g/l at 25°C.