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EC number: 202-112-7
CAS number: 91-97-4
Pressure Estimations (25 deg C):
BP: 364.35 deg C (estimated))
MP: 71.70 deg C (user entered))
mm Hg (Antoine Method)
mm Hg (Modified Grain Method)
mm Hg (Mackay Method)
mm Hg (Modified Grain Method)
Pa (Modified Grain Method)
liquid VP: 6.01E-005
mm Hg (25 deg C, Mod-Grain method)
deg C, Mod-Grain method)
The vapour pressure was calculated
using the Modified Grain Method of MBBPWIN v1.43 as part of EPISuite
v4.11 from US Environmental Protection Agency.
Using using MBBPWIN v1.43 the vapour
pressure of the test item was calculated to be 0.0029 Pa at 25 °C (EPI
The adequacy of a prediction depends
on the following conditions:
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 regulatory purpose.
For assessment and justification of
these 4 requirements the QMRF and QPRF files were developed and attached
to this study record.
Description of the prediction
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 of the degradation
product 4,4-bi-o-toluidine was reported to be 6.92E-07 mmHg at 25 °C
corresponding to 9.225E-07 mbar at 25 °C.
The vapour pressure of
3,3'-Dimethylbenzidine (TODA) was estimated by calculation to be 2.14E-5
Torr at 25 °C corresponding to 2.85E-05 mbar at 25 °C.
The vapour pressure of TODI was calculated
by means of the program MPBPVPWIN v1.43, which is part of the program
compilation EPI Suite. The vapour pressure of TODI at 25 °C was
estimated to be 2.21E-05 mm Hg corresponding to 0.0029 Pa using the
Modified Grain method.
As experimental measurements of substances
with appreciable very low vapour pressure provide technical
difficulties, an experimental study on the vapour pressure of TODI was
not performed. The estimated vapur pressure was determined to be 0.0029
Pa at 25°C using EPISuite calculation.
The vapour pressure TODI's hydrolysis
degradation product 4,4 -bi-o-toluidine (TODA) was reported to be
6.92E-07 mmHg at 25 °C corresponding to 9.225E-07 mbar at 25 °C.
Furthermore, the vapour pressure of 4,4 -bi-o-toluidine (TODA) was
estimated by calculation to be 2.14E-5 Torr at 25 °C corresponding to
2.85E-05 mbar at 25 °C.
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