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EC number: 206-056-4 | CAS number: 298-07-7
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
The QSAR determination of the Henry's Law Constant for bis(2-ethylhexyl) hydrogen phosphate using the model HENRYWIN included in the Estimation Program Interface (EPI) Suite v4.11 revealed a value of 0.00417 Pa*m³/mol at 25°C.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.004
- at the temperature of:
- 25 °C
Additional information
The Henry's Law Constant (HLC) for bis(2-ethylhexyl) hydrogen phosphate was predicted using the QSAR calculation of the Estimation Program Interface (EPI) Suite v 4.11. The HLC was estimated to be 0.00417 Pa*m³/mol at 25°C (Bond method). This value indicates that bis(2-ethylhexyl) hydrogen phosphate is essentially non-volatile from water, and a long-range transport via the atmosphere is not expected.
Concerning adequacy of prediction, bis(2-ethylhexyl) hydrogen phosphate has more instances of hydrogen carbon bonds and C-C bonds than the maximum for all training set compounds. An individual uncertainty for bis(2-ethylhexyl) hydrogen phosphate is available as some bonds occur more often in the structure of bis(2-ethylhexyl) hydrogen phosphate than found in any single substance of the training set. But as bis(2-ethylhexyl) hydrogen phosphate has a very low vapour pressure no volatility of bis(2-ethylhexyl) hydrogen phosphate from water is expected. Therefore the present calculated value can be used as a worst case regarding volatility of bis(2-ethylhexyl) hydrogen phosphate from water.
Nevertheless, the result for bis(2 -ethylhexyl) hydrogen phosphate falls within the applicability domain described above and the applied estimation rules appear appropriate. Therefore the predicted value can be considered reliable yielding a useful result for further assessment.
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