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Physical & Chemical properties

Water solubility

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Description of key information

Estimation of Water Solubility, using 4 different QSAR models, and/or variations  thereof, and a published database.

Key value for chemical safety assessment

Water solubility:
6 860 mg/L
at the temperature of:
25 °C

Additional information

The water solubility of this material was estimated using 4 different QSAR models. The SPARC model yielded a value of 6,135 mg/L at 25C. The ACDLabs model produced a value of 6,860 mg/L at 25C. Using a Log Kow value of 1.88, and a Melting point of -73.9 C, as inputs, the EPISUITE-WSKOW model produced a value of 3,866 mg/L at 25C. The same model, but with no Melting Point yielded a value of 2,611 mg/L at 25C. EPISUITE-WATERNT, yielded a value of 6,268 mg/L at 25C. Finally, a value of 5,400 mg/L was obtained from the EPISUTE database.