1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactose

Vapour pressure

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