Registration Dossier
Registration Dossier
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EC number: 209-400-1 | CAS number: 576-26-1
Vapour pressure
Administrative data
Link to relevant study record(s)
Description of key information
A weight of evidence approach provided vapour pressure data on 2,6-xylenol at temperatures of 4.9, 20 and 25 °C. The vapour pressure at 20 °C was 20 Pa.
Key value for chemical safety assessment
- Vapour pressure:
- 20 Pa
- at the temperature of:
- 20 °C
Additional information
This endpoint is addressed on a weight of evidence basis. Four sources of data are provided; three of these are experimental values reported in formats which have been peer reviewed. The peer reviewed data are supported by a Quantitative Structure Activity Relationship (QSAR) calculation (EPI Suite vs 4.0) which estimates the vapour pressure to be in the same order of magnitude. All four were awarded a reliability score of 2 in accordance with the criteria for assessing data quality as set forth by Klimisch et al. (1997).
In the QSAR calculation, the MPBPVP module in EPI Suite v 4.0 estimated the vapour pressure at 25 °C using the modified Grain method (with the manual input of a boiling point of 202 °C). The calculated vapour pressure was 13.3 Pa.
The first experimental value reported was obtained from the HPVIS, citing the Project ESP (Environmental Safety Properties) database of peer-reviewed data. The vapour pressure of 2,6-xylenol was determined to be 0.27 mm Hg (36.0 Pa) at 25 °C.
The second experimental values were reported in a publication in the J. Chem. Soc. The vapour pressure was 0.175 mm Hg (23.3 Pa) at 25 °C.
The third source for experimental values was the EPA Health and Environmental Effects Profile for Dimethylphenols. The vapour pressure was reported to be 0.02 mm Hg (2.7 Pa) and 0.15 mm Hg (20.0 Pa) at 4.9 and 20 °C, respectively.
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