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EC number: 211-989-5
CAS number: 732-26-3
The test material was determined to have a boiling point of 278 °C (551 K).
Three studies are provided to address this endpoint, one key and two
In the key study, the boiling point of the test material was
investigated in a study which was performed under GLP conditions and in
accordance with the standardised guidelines OECD 103, EU Method A.2 and
US EPA OPPTS 830.7220. The study has been awarded a reliability score of
1 in accordance with the criteria set forth by Klimisch et al.
The boiling point of the test material was performed using Differential
Scanning Calorimetry (DSC). The result was calculated as the mean of two
readings, obtained from separate experiments.
Under the conditions of the study, the boiling point of the test
material was determined to be 278 °C (551 K) at an atmospheric pressure
of 1012 ± 1 hPa.
In the first supporting study, the boiling point of the test material
was quoted in a paper which discusses the physical properties of
alkylated phenols. No details relating to how the data was obtained are
included in the reference. The study was awarded a reliability score of
4 in accordance with the criteria set forth by Klimisch et al. (1997).
Under the conditions of this study the test material was determined to
have a boiling point of 158, 203 and 278 °C at 20, 100 and 760 mm Hg,
In the second available supporting study, the boiling point of the test
material was estimated using the MPBPWIN model v1.43 (EPI Suite v4.11).
The study was awarded a reliability score of 2 in accordance with the
criteria set forth by Klimisch et al. (1997).
MPBPWIN estimates the normal boiling point using an adaptation of the
Stein and Brown (1994) method which is an extension and refinement of
the Joback method (Joback, 1982; Reid et al., 1987). Sufficient
information on the model training set is available to evaluate the
applicability of the model to this substance. The molecular weight of
the test material is within the training set range.
The boiling point was calculated to be 324.5 °C (Adapted Stein and Brown
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