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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA).
Justification for type of information:
See attached justifications.
Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / WATERN V1.01
GLP compliance:
no
Type of method:
other: Estimated by calculation.
Specific details on test material used for the study:
[Na]OS(=O)(=O)C(CCCCCCCCC)CCCCCCCC(=O)OCCOC(=O)CCCCCCCC(CCCCCCCCC)S(=O)(=O)O([Na])
Key result
Water solubility:
0 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: EPI-Suite calculation: no data provided on the pH to be included under "Results and discussions".
Conclusions:
The estimated water solubility is 7.9909E-7 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).
Executive summary:

The estimated water solubility is 7.9909E-7 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA).
Justification for type of information:
See attached justifications.
Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / WATERN V1.01
GLP compliance:
no
Type of method:
other: Estimated by calculation.
Specific details on test material used for the study:
SMILES: O=S(=O)(O([Na]))C(CCCCCCCCC)CCCCCCCC(=O)OCCO
Key result
Water solubility:
0.012 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: EPI-Suite calculation: no data provided on the pH to be included under "Results and discussions".
Conclusions:
The estimated water solubility is 0.012054 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).
Executive summary:

The estimated water solubility is 0.012054 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA).
Justification for type of information:
See attached justifications.
Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / WSKOWWIN v1.42
GLP compliance:
no
Type of method:
other: Estimated by calculation.
Specific details on test material used for the study:
[Na]OS(=O)(=O)C(CCCCCCCCC)CCCCCCCC(=O)OCCOC(=O)CCCCCCCC(CCCCCCCCC)S(=O)(=O)O([Na])

Key result
Water solubility:
0 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: EPI-Suite calculation: no data provided on the pH to be included under "Results and discussions".
Conclusions:
The estimated water solubility is 4.563E-7 mg/l at 25 ºC (EPI-Suite, WSKOWWIN v1.42).
Executive summary:

The estimated water solubility is 4.563E-7 mg/l at 25 ºC (EPI-Suite, WSKOWWIN v1.42).

Description of key information

Weight of evidence:

Representative components are:

Bisulfited sodium salt of ethylene ester of oleic acid:

The estimated water solubility is 0.012054 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).

Bisulfited sodium salt of ethylene diester of oleic acid:

The estimated water solubility is 4.563E-7 mg/l at 25 ºC (EPI-Suite, WSKOWWIN v1.42).

The estimated water solubility is 7.9909E-7 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).

Key value for chemical safety assessment

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

Additional information

The water solubility of representative components range from 4.563 E-7 to 0.012054 mg/L.