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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
5 August 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
according to
Guideline:
other: Estimate from fragments
Principles of method if other than guideline:
Calculated using EPIsuite (Estimate from fragments, Wat sol v1.01 est).
GLP compliance:
no
Type of method:
other: EPIsuite Calculation
Key result
Water solubility:
< 0.592 µg/L
Temp.:
20 °C
pH:
ca. 7
Details on results:
The water solubility of the three main components of V3000 (comprising >50% of V3000) has been calculated to be 0.9.92x10-4 µg/L (C18:1), 0.00218 µg/L (C18:2), and 0.0048 µg/L (C18:3). To estimate a range for the water solubility, further estimates were made for C12 (saturated) 2-ethylhexyl ester (calculated to be 0.5919 µg/L) and C20 (saturated) 2-ethylhexyl ester (calculated to be 4.25x10-4 µg/L).
Conclusions:
The water solubility of the three main components of V3000 (comprising >50% of V3000) has been calculated to be 0.9.92x10-4 µg/L (C18:1), 0.00218 µg/L (C18:2), and 0.0048 µg/L (C18:3). To estimate a range for the water solubility, further estimates were made for C12 (saturated) 2-ethylhexyl ester (calculated to be 0.5919 µg/L) and C20 (saturated) 2-ethylhexyl ester (calculated to be 4.25x10-4 µg/L). The water solubility of V3000 is therefore <0.592 µg/L and is considered to be insoluble (<0.1 mg/L).
Executive summary:

The water solubility of the three main components of V3000 (comprising >50% of V3000) has been calculated to be 0.9.92x10-4 µg/L (C18:1), 0.00218 µg/L (C18:2), and 0.0048 µg/L (C18:3). To estimate a range for the water solubility, further estimates were made for C12 (saturated) 2-ethylhexyl ester (calculated to be 0.5919 µg/L) and C20 (saturated) 2-ethylhexyl ester (calculated to be 4.25x10-4 µg/L). The water solubility of V3000 is therefore <0.592 µg/L and is considered to be insoluble (<0.1 mg/L).

Due to this very low solubility, an experimental study is not considered needed.

Description of key information

The water solubility of the three main components of V3000 (comprising >50% of V3000) has been calculated to be 0.9.92x10-4 µg/L (C18:1), 0.00218 µg/L (C18:2), and 0.0048 µg/L (C18:3). To estimate a range for the water solubility, further estimates were made for C12 (saturated) 2-ethylhexyl ester (calculated to be 0.5919 µg/L) and C20 (saturated) 2-ethylhexyl ester (calculated to be 4.25x10-4 µg/L). The water solubility of V3000 is therefore <0.592 µg/L and is considered to be insoluble (<0.1 mg/L).

Due to this very low water solubility, an experimental study is not considered needed.

Key value for chemical safety assessment

Water solubility:
0.592 µg/L
at the temperature of:
20 °C

Additional information