Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
EPISUITEV4.1

2. MODEL (incl. version number)
Antoine Method; Mackay Method; Modified Grain Method

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
OCC1C(Cl)C(O)C(O)C(OC2(CCl)C(O)C(O)C(CCl)O2)O1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint: Vapour pressure
- Unambiguous algorithm: see MPBPWIN Help
- Defined domain of applicability: prediction is derived from phy-chem properties

5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain: see MPBPWIN Help; no domain available

6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]
Prediction demonstrates that an experimental determination of vapour pressure is not required, as the estimated vapour pressure is <10-5 Pa (7.5E-8 mm Hg).
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Principle of test: Antoine Method, Mackay Method, Modified Grain Method
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 mm Hg
Remarks on result:
other: /QSAR predicted value; Antoine Method
Test no.:
#2
Temp.:
25 °C
Vapour pressure:
0 mm Hg
Remarks on result:
other: /QSAR predicted value; MacKay Method
Key result
Test no.:
#3
Temp.:
25 °C
Vapour pressure:
0 mm Hg
Remarks on result:
other: /QSAR predicted value; modified Grain Method

MPBPWIN predicted that the test item has a vapour pressure

8.73E-18 mm Hg (Antoine Method)

2.54E-10 mm Hg (Mackay Method)

3.25E-14 mm Hg (modified Grain Method)

Conclusions:
The test item has a predicted vapour pressure of
8.73E-18 mm Hg (Antoine Method)
2.54E-10 mm Hg (Mackay Method)
3.25E-14 mm Hg (modified Grain Method)

Description of key information

The vapour pressure-value of the test item was predicted using EPI_Suite calculation:

8.73E-18 mm Hg (Antoine Method)

2.54E-10 mm Hg (Mackay Method)

3.25E-14 mm Hg (modified Grain Method)

The vapour presure of the modified Grain Method corresponds to

3.25E-14 mm Hg = 4.33E-12 Pa

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information