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EC number: 258-436-4
CAS number: 53220-22-7
The vapour pressure was calculated using
MBBPWIN v1.42 as part of EPISuite v4.10 from US Environmental Protection
Using MBBPWIN v1.42 the vapour pressure of
the test item was calculated to be 0.000000000915 Pa at 25 °C .
The adequacy of a prediction depends on the
a) the (Q)SAR model is scientifically valid:
the scientific validity is established according to the OECD principles
for (Q)SAR validation;
b) the (Q)SAR model is applicable to the
query chemical: a (Q)SAR is applicable if the query chemical falls
within the defined applicability domain of the model;
c) the (Q)SAR result is reliable: a valid
(Q)SAR that is applied to a chemical falling within its applicability
domain provides a reliable result;
d) the (Q)SAR model is relevant for the
For assessment and justification of these 4
requirements the QMRF and QPRF files were developed and attached to this
Description of the prediction Model
The prediction model was descripted using
the harmonised template for summarising and reporting key information on
(Q)SAR models. For more details please refer to the attached QSAR Model
Reporting Format (QMRF) file.
Assessment of estimation domain
The assessment of the estimation domain was
documented in the QSAR Prediction Reporting Format file (QPRF). Please
refer to the attached document for the details of the prediction and the
assessment of the estimation domain.
The vapour pressure was calculated
using MPBPWIN software v1.42 (part of EPIWIN). The vapour pressure of
ditetradecyl peroxydicarbonate was calculated to be 9.15e-10 Pa at 25
In accordance with section R.22.214.171.124 second
draft (of update to generate Version 2.0) FOR RAC of guidance on
information requirements and chemical safety assessment Chapter R.7a:
Endpoint specific guidance the test on vapour pressure was waived. As
mentioned section R.126.96.36.199: “For substance which decompose during
measurement or which is unstable or explosive, determination of the
vapour pressure may not be technically possible. This also applies to
self-reactive substances and organic peroxides.” Ditetradecyl
peroxydicarbonate is classified as organic peroxide. In addition the
substance decomposes under heating. The self accelerating decomposition
temperature (SADT) was determined to be 35°C. Thus, the study was waived
as it is technically not feasible to determine the vapour pressure of
Ditetradecyl peroxydicarbonate. Thus the determination of the vapour
pressure was replaced by a theoretical estimation. The vapour pressure
was calculated using MPBPWIN software v1.42 (part of EPIWIN).The vapour
pressure of ditetradecyl peroxydicarbonate was calculated to be 9.15
e-10 Pa at 25°C.
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