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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Based on QSAR prediction. Please refer to the attached justification.
Principles of method if other than guideline:
- Justification of QSAR prediction: see 'Attached justification'
Specific details on test material used for the study:
Refer to the attached justification for information on SMILES
Key result
Temp.:
25 °C
Vapour pressure:
< 0 Pa
Remarks on result:
other: QSAR predicted value
Conclusions:
The vapour pressure of substance is estimated to be below 10E-10 Pa (lowest vapour pressure that can be analytically determined).
Executive summary:

The vapour pressure of substance is assumed to be extremely low (1, 2, 3). This data is further supported by the results from the EPI Suite.

Enzymes are UVCB and a definitive SMILES code is not applicable. Therefore, the vapour pressure of amino acids and various oligopeptide was predicted using EPI Suite and was used to estimate the vapour pressure of enzymes. The amino acid and peptides used for this approach together with their molecular weight, predicted vapour pressure and simplified SMILES are listed in the attached justification. As described in the justification, the predicted vapour pressure of the substance is significantly below the lowest vapour pressure that can be analytically determined, which is 10E-10 Pa (4). Therefore, the lowest vapour pressure value that can be analytically determined was chosen as the vapour pressure for the substance. This is further supported by the conclusion drawn for several other enzymes (proteases, amylases, cellulases, lipases) mentioned in HERA reports (1, 5). These reports also concluded that the vapour pressure of these enzymes is below the lowest vapour pressure that can be analytically determined, which was 10-6 Pa at the time these reports were issued (see e.g. 6). Also, NIOSH (2) and NJDOH (3) have mentioned 0 mmHg vapour pressure for subtilisin on their website and factsheet, respectively.

 

References:

1. HERA (2007) Human & Environmental Risk Assessment (HERA) on ingredients of household cleaning products - Subtilisins (Protease), 2ndedition.

2. NIOSH (2018) The National Institute for Occupational Safety and Health (NIOSH) – Subtilisins, available via: https://www.cdc.gov/niosh/npg/npgd0572.html (accessed 13/08/2019).

3. NJDOH (2003) New Jersey Department of Health and Senior Services – Hazardous Substances Fact Sheet: Subtilisins, available via: https://nj.gov/health/eoh/rtkweb/documents/fs/1750.pdf (accessed 13/08/2019).

4. EU (2017) Commission Regulation (EC) No 440/2008 of May 2008 with amendments M1, M2, M3, M4, M5, M6, M7.

5. HERA (2005) Human & Environmental Risk Assessment (HERA) on ingredients of household cleaning products α-Amylases, Cellulases And Lipases, 1st edition.

6. EU (2008) Commission Regulation (EC) No 440/2008 of May 2008

Description of key information

QSAR was used to determine the vapor pressure of the test substance. As the test substance is UVCB, a definitive SMILES code is not applicable and therefore vapour pressure of amino acids and various oligopeptide was predicted using EPI Suite. Based on this, vapour pressure of the substance is estimated to be <10E-10 Pa at the temperature of 25 °C. This is the lowest vapour pressure that can be analytically determined.

Key value for chemical safety assessment

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

Additional information