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Water solubility

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Description of key information

The water solubility for category C4, high 1,3-butadiene (≥ 0.1%) ranges from 135.6 to 792.3 mg/L.

Key value for chemical safety assessment

Water solubility:
371.8 mg/L
at the temperature of:
20 °C

Additional information

Measured solubility data for the members of category were not available. Therefore solubility was estimated using WSKOWWIN in EPISuite 4 (2009) which estimates the water solubility (WSol) of an organic compound using the compounds log octanol-water partition coefficient (Kow).  WSKOWWIN requires only a chemical structure to estimate Wsol. The calculated water solubility of the members of category C4, high 1,3 -butadiene (0.1%)

[68476-52-8: 135.6 mg/L, 68477-42-9: 423.5 mg/L, 68955-28-2: 792.3 mg/L and 87741-01-3: 135.6 mg/L] ranged from 135.6 to 792.3 mg/L at 20°C.

The mean of the water solubility values for the category is 371.8 mg/L at 20°C and this has been used to complete the 'key value for chemical safety assessment'.