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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:
2017 October 01
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:
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:
equivalent or similar to
Guideline:
other: US EPA EPI-Suite WSKOW v1.42
Principles of method if other than guideline:
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.
GLP compliance:
no
Type of method:
other: Calculation
Specific details on test material used for the study:
SMILES : O=C(OCCO)CCCCCCCC=CCC(O)CCCCCC
CHEM  : 9-Octadecenoic acid, 12-hydroxy-, 2-hydroxyethyl ester, R-(Z) -
MOL FOR: C20 H38 O4
MOL WT : 342.52
Key result
Water solubility:
0.062 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
7

Water Sol: 0.06164 mg/L


SMILES : O=C(OCCO)CCCCCCCC=CCC(O)CCCCCC

CHEM  : 9-Octadecenoic acid, 12-hydroxy-, 2-hydroxyethyl ester, R-(Z) -

MOL FOR: C20 H38 O4

MOL WT : 342.52

Conclusions:
The water solubility of the test substance was calculated to be 0.06164 mg/L using EPI-Suite WSKOW v1.42.

Description of key information

0.06164 mg/L

Key value for chemical safety assessment

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

Additional information

The water solubility of the test substance was estimated to be 0.06164 mg/L using EPI-Suite WSKOW v1.42.