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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Read across study
Justification for type of information:
The study with the read across substance is considered sufficient to fulfil the information requirements.
Reason / purpose for cross-reference:
read-across source
Qualifier:
no guideline available
Principles of method if other than guideline:
Handbook data
GLP compliance:
not specified
Key result
Water solubility:
ca. 89 mg/L
Temp.:
25 °C
pH:
ca. 8
Conclusions:
Based on the results of a study with the read across substance, vinyl toluene, the water solubility of the test substance is approximately 89 mg/L at 25°C.
Executive summary:

A study was conducted to determine the water solubility of the read across substance, vinyl toluene. The measured value was obtained from a reliable literature source, the Encyclopedia of Chemical Technology. Based on the results of the study, the water solubility of the test substance is approximately 89 mg/L at 25°C (Kirk-Othmer, 1978).

Endpoint:
water solubility
Type of information:
(Q)SAR
Remarks:
EpiSuite
Adequacy of study:
key study
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:
The substance falls within the applicability domain of the selected (Q)SAR method.
Qualifier:
according to guideline
Guideline:
other: EPI SUITE v 4.11
GLP compliance:
no
Type of method:
other: (Q)SAR modeling
Key result
Water solubility:
117.1 mg/L
Temp.:
25 °C
Remarks on result:
other: No information on concentration or pH
Details on results:
Water solubility estimate from log Kow (WSKOW v1.42).
Conclusions:
Under the study conditions, water solubility of the test substance was established at 117.1 mg/L at 25°C.
Executive summary:

A study was conducted to determine the water solubility of the test substance by modelling using EPI SUITE v 4.11. The water solubility estimate was made based on log Kow (WSKOW v 1.42). Under the study conditions, the water solubility of the test substance was established at 117.1 mg/L at 25°C (US EPA, 2017).

Description of key information

Determination of the water solubility based on the results for the read across substance, vinyl toluene (Kirk-Othmer, 1978) and by modelling (EPI SUITE v 4.11) (US EPA, 2017).

Key value for chemical safety assessment

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

Additional information

Read across substance: 89 mg/L

EPI SUITE modelling: 177.1 mg/L