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Vapour pressure

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Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
23 Apr 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method. A high number of bromine containing reference substances are included in the database used in EPISUITE.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on MPBPWIN v1.43, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: QSAR
Temp.:
25 °C
Vapour pressure:
0 Pa

Modified Grain method. QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables”

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
30 Nov 2009 - 25 Feb 2010
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: GLP guideline study
Qualifier:
according to
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
yes
Remarks:
, the method is not validated, no reference materials have been used;
Principles of method if other than guideline:
No statistical analyses were performed because the balance reading were too low and variable for a line of best fit to have any meaning.
GLP compliance:
yes (incl. certificate)
Remarks:
Statement of GLP Compliance in accordance with Directive 2004/9/EC, The Department of Health of the Government of the United Kingdom, dated 26 November 2009
Type of method:
effusion method: by loss of weight or by trapping vaporisate
Temp.:
25 °C
Vapour pressure:
< 0 Pa

Run 5 (see attached tabulated results) was chosen because the sample had been under vacuum for the longest period, prior to this run, and so degassing would have been the most complete. The reading at 99 °C (372.15 K) was chosen because this is the data point which gives the highest estimated vapour pressure at any given temperature when a slope of -1500 K is imposed upon it.

The value of -1500 K is an in-house value and is the shallowest slope observed whilst determining the vapour pressure on a wide range of samples, using the vapour pressure balance method.

Extrapolation to 25 °C gave a vapour pressure of 4.355 x 1E-4 Pa, which has been taken as a maximum for this material.

Description of key information

The substance  Reaction mass of 1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene] and 1,3-dibromo-2-(2,3-dibromo-2-methylpropoxy)-5-{2-[3,5-dibromo-4-(2,3,3-tribromo-2-methylpropoxy)phenyl]propan-2-yl}benzene has an estimated vapour pressure of 3.31 x 1E-11 Pa at 25 °C (QSAR, EPISUITE, MPBPWIN v1.43, modified Grain method).

Key value for chemical safety assessment

Additional information

The vapour pressure has been calculated with EPISUITE (MPBPWIN v1.43), by using the modified Grain method. As an input experimental value, the melting point of 113.3 °C was used. The vapour pressure was thereafter calculated and determined to be 3.31 x 1E-11 Pa, at 25 °C. Experimentally (OECD 104, RL4), the vapour pressure was found to be lower than 4.4 x 1E-4 Pa at 25 °C.