Registration Dossier
Registration Dossier
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EC number: 249-047-0 | CAS number: 28473-19-0
Vapour pressure
Administrative data
Link to relevant study record(s)
Description of key information
The vapour pressure of DIDS was predicted to be 0.00000405 Pa using the OECD QSAR Toolbox (OECD, 2012).
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
According to the REACH guidance, "for the determination of the vapour pressure, (Q)SAR approaches may be used if determination by experiment is not possible" (ECHA, 2012b). The vapour pressure of DIDS was calculated using EPI Suite (MPBPWIN), via the OECD QSAR Toolbox (v.3.0) (OECD, 2012). A range of models (all with no defined domain) were applied, giving the following results (in mmHg) [presumably at room temperature]:
Antoine
method: 1.13 x 10-9.
Mackay method: 6.22 x 10-8.
Modified Grain method: 3.04 x 10-8.
3.04 x 10-8 [equivalent to 4.05 x 10-6 Pa, using a conversion factor of 0.0075] was EPI Suite's "selected vapour pressure".
Relevant read-across data:
The vapour pressure of DIDA was assessed in a GLP study, conducted according to OECD Guideline 104, using the isothermal thermogravimetric effusion method. The vapour pressure of DIDA at 20 °C (293K) was 1.53 x 10-5 Pa, equivalent to 1.15 x 10-7 mm Hg (Baltussen, 2010).
A vapour pressure of 1.97 x 10-6 mmHg has been predicted for DEHS (ACC, 2010; OECD, 2012).
Chapter R.7a of ECHA's Information Requirements and Chemical Safety Assessment (IR&CSA) for REACH states that substances with vapour pressures of less than 7.5 x 10-5 mmHg are low volatility substances (for indoor and outdoor use) (ECHA, 2012b). DIDA and DEHS are, like DIDS, both likely to be low volatility substances, supporting the use of these compounds for read-across purposes.
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