2-(phenylmethylene)-1-Azabicyclo[2,2,2]octan-3-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction

Guideline:

other: REACH Guidance on (Q)SAR

Principles of method if other than guideline:

Meylan, W.M. P.H. Howard and R.S. Boethling.   1996.  Improved method for estimating water solubility from octanol/water partition coefficient. Environ. Toxicol. Chem. 15: 100-106.

Type of method:

other: (Q)SAR

Water solubility:

430.7 mg/L

Temp.:

25 °C

Water Sol from Kow (WSKOW v1.42) Results:

See attachment in Attached background material for more details.

Conclusions:

Water Sol: 0.43 g/L

Description of key information

Mass solubility: 0.70 g/L (Sparingly Soluble) Unbuffered Water pH 7.49 Temp: 25°C [Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994 -2018 ACD/Labs)]
Water solubility at 25°C: 0.4307 g/L (WSKOW v1.42 - EPIWEB 4.11)

Water solubility at 25°C: 0.712 g/L (WATERNT Program v1.01 - EPIWEB 4.11)

Key value for chemical safety assessment

Water solubility:

0.7 g/L

at the temperature of:

25 °C

Additional information

Calculated value and estimated value by WATERNT are in the same range (0.7 g/L). Intermediate substance is sparingly soluble in water (< 1 g/L).