Registration Dossier
Registration Dossier
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EC number: 915-932-1 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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:
- SOFTWARE: MPBWIN v1.43 (September 2010) by U.S. EPA
MODELS:
- Antoine Method
- Modified Grain Method
- Mackay Method
CAS# : 63316-43-8
SMILES : O(K)S(=O)(=O)c2cccc(c2)S(=O)(=O)c1ccccc1
CHEM : Benzenesulfonic acid, 3-(phenylsulfonyl)-, potassium salt
MOL FOR: C12 H9 O5 S2 K1
MOL WT : 336.42
VALIDITY: Considered valid when the substance falls within the training dataset
APPLICABILITY OF DOMAIN: A review of the training set and frangements used in the assessment indicates that the substance falls well within the model's domain.
ADEQUACY OF THE RESULT: The result was the expected result and is adequate for classification & labeling and risk characterization - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Vapour pressure was estimated for CAS# 63316-43-8, the main component of this reaction mass, using MPBPWIN v1.43 (September 2010) developed by the U.S. Environmental Protection Agency with measured melting point of 238.3 deg. Celsius entered as user input.
- GLP compliance:
- no
- Type of method:
- other: (Q)SAR
- Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- As permitted in Annex VII, Column 2 for substances with a melting point >200 deg. Celsius, the vapour pressure of the substance was estimated by QSAR to be 2.35E-013 Pa.
- Executive summary:
As permitted in Annex VII, Column 2 for substances with a melting point >200 deg. Celsius, the vapour pressure of the substance was estimated to be 2.35E-013 Pa using MPBPWIN v1.43 (September 2010) (Q)SAR model developed by the U.S. Environmental Protection Agency with measured melting point of 238.3 deg. Celsius entered as user input.
Reference
Description of key information
As permitted in Annex VII, Column 2 for substances with a melting point >200 deg. Celsius, the vapour pressure of the substance was estimated to be 2.35E-013 Pa using MPBPWIN v1.43 (September 2010) (Q)SAR model developed by the U.S. Environmental Protection Agency with measured melting point of 238.3 deg. Celsius entered as user input.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
