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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
March 12, 2018
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
EPI Suite v4.11 (released in November 2012)

2. MODEL (incl. version number)
WSKOWWIN v1.42

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCOCCOC(=O)C(C)=C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See QSAR Model Reporting Format (QMRF) attached.

5. APPLICABILITY DOMAIN
See QSAR Prediction Reporting Format (QPRF) attached.

6. ADEQUACY OF THE RESULT
See QSAR Prediction Reporting Format (QPRF) attached.
Qualifier:
no guideline required
Principles of method if other than guideline:
- Software tool(s) used including version: EPI Suite v4.11 (released in November 2012)
- Model(s) used: WSKOWWIN v1.42
GLP compliance:
no
Type of method:
other: Estimation method
Key result
Water solubility:
1 007 mg/L
Temp.:
25 °C
Remarks on result:
other: WSKOWWIN v1.42 estimate
Conclusions:
2-Butoxyethyl methacrylate was estimated to have a water solubility of 1007 mg/L at 25 °C by the WSKOWWIN v1.42 model in Epi Suite v4.11.
Executive summary:

The water solubility of 2-butoxyethyl methacrylate was estimated in the WSKOWWIN v1.42 model within EPI Suite v4.11. WSKOWWIN obtains an experimental value for the n-octanol/water partition coefficient (Kow) if available within the model database or provides an estimate for Kow using the KOWWIN™ v1.68 program. The Kow is then used to estimate water solubility as part of Equation 19 and 20, which are described in Meylan and Howard (1994): Upgrade of PCGEMS Water Solubility Estimation Method (May 1994) and in Meylan and Howard (1994): Validation of Water Solubility Estimation Methods Using Log Kow for Application in PCGEMS & EPI. 2-Butoxyethyl methacrylate had a water solubility of 1007 mg/L at 25 °C, which can be regarded as moderately soluble to soluble.

Description of key information

According to the WSKOWWIN v1.42 model (EPI Suite v4.11), the water solubility of 2-butoxyethyl methacrylate has been estimated to be 1007 mg/L at 25 °C. The registered substance can subsequently be regarded as moderately soluble to soluble.

Key value for chemical safety assessment

Water solubility:
1 007 mg/L
at the temperature of:
25 °C

Additional information