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EC number: 905-983-8 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
Description of key information
The QSAR determination of the vapour pressure at 25°C of each constituent of 'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate' using the model MPBPWIN included in the Estimation Program Interface (EPI) Suite v4.1.
The single results are regarded as partial pressures and are proportionately calculated based on the determined composition of 'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate'. Adding up the partial pressures, for 'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate' a calculated vapour pressure of 0.00105 Pa at 25°C is obtained.
Key value for chemical safety assessment
- Vapour pressure:
- 0.001 Pa
- at the temperature of:
- 25 °C
Additional information
The vapour pressure of 'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate' was predicted using the Estimation Programm Interface EPI-Suite v4.1.
'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate' is "multi constituent substance" consisting of benzyl 2-ethylhexyl adipate [CAS 58394-64-2], bis(2-ethylhexyl) adipate [CAS 103-23-1] and dibenzyl adipate [CAS 2451-84-5].
The vapour pressure of each constituent of 'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate' was estimated by the program.
In case the substance is a solid, the model uses the melting point and the boiling point for estimation. For liquids, the model only uses boiling point for estimation. Except for bis(2-ethylhexyl) adipate, where an experimental boiling point was available, estimated melting and boiling points (internally calculated by MPBPWIN v1.43) have been used for estimation. Using the modified Grain method, the vapour pressure at 25°C was estimated to be 0.00165 Pa for benzyl 2-ethylhexyl adipate, 0.000427 Pa for bis(2-ethylhexyl) adipate and 0.000538 Pa for dibenzyl adipate.
The single results are regarded as partial pressures and are proportionately calculated based the determined composition of 'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate'. Adding up the partial pressures, for 'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate' a calculated vapour pressure of 0.00105 Pa at 25°C is obtained.The results for each constituent, and finally the result of the vapour pressure for 'Reaction mass of benzyl 2-ethylhexyl adipate and bis(2-ethylhexyl) adipate and dibenzyl adipate' fall within the applicability domain and the applied estimation rule appear appropriate. Therefore the predicted value can be considered reliable yielding a useful result for further assessment.
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