Registration Dossier
Registration Dossier
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EC number: 211-989-5 | CAS number: 732-26-3
Boiling point
Administrative data
Link to relevant study record(s)
Description of key information
The test material was determined to have a boiling point of 278 °C (551 K).
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 278 °C
Additional information
Three studies are provided to address this endpoint, one key and two supporting.
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, respectively.
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 Method).
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