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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Remarks:
QSAR Toolbox 4.2
Adequacy of study:
key study
Study period:
September 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
1. SOFTWARE : OECD QSAR Toolbox

2. MODEL (incl. version number) : ver. 4.2

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL : CAS 122397-96-0; SMILE: CCOc1cc(C=O)ccc1OC1OC(CO)C(O)C(O)C1O

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL : Deafult built in model - Mckay method

5. APPLICABILITY DOMAIN
Vapor Pressure Estimations (25 deg C):
(Using BP: 513.46 deg C (estimated))
(Using MP: 218.88 deg C (estimated))
Qualifier:
no guideline required
Principles of method if other than guideline:
- Software tool(s) used including version: OECD QSAR Toolbox ver. 4.2
- Model(s) used: Mckay method
- assessment for CAS 122397-96-0
GLP compliance:
no
Key result
Temp.:
25 °C
Vapour pressure:
0 mm Hg
Remarks on result:
other: Mckay method
Remarks:
assessment for CAS 122397-96-0
Conclusions:
3x10-10 mmHg based on Mckay method assessed with QSAR Toolbox 4.2
Executive summary:

3x10-10 mmHg based on Mckay method assessed with QSAR Toolbox 4.2

Description of key information

QSAR assessment with OECD QSAR Toolbox 4.2 (Mckay method)

Key value for chemical safety assessment

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

Additional information