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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017 April 04
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 limited documentation / justification
Justification for type of information:
Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Estimated data are obtained from a reliable (Q)SAR program based on fragment analysis (U.S. EPA EPI-Suite WSKOW v1.42).
GLP compliance:
no
Type of method:
other: (Q)SAR
Key result
Water solubility:
0.01 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
7
Remarks on result:
other: assume neutral pH

---------------------------------- WSKOW v1.42 Results ------------------------

Log Kow (estimated) : 6.30 

Log Kow (experimental): not available from database

Log Kow used by Water solubility estimates: 6.30

 

Equation Used to Make Water Sol estimate:

  Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction

    (used when Melting Point NOT available)

 

   Correction(s):     Value

   --------------------  -----

    No Applicable Correction Factors

 

  Log Water Solubility (in moles/L) : -7.602

  Water Solubility at 25 deg C (mg/L): 0.01038

 

Conclusions:
The substance is considered insoluble in water, as the quantitative estimate is 0.01038 mg/L at 25 ˚C,according to U.S. EPA EPI-Suite WKSOW v1.42 of EPI-Suite v4.11.

Description of key information

0.01038 ml/L (est.)

Key value for chemical safety assessment

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

Additional information

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