Registration Dossier
Registration Dossier
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EC number: 202-111-1 | CAS number: 91-96-3
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR using an accepted calculation method. The assessed substance is within the domain of the QSAR.
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- MPBPVPWIN, v.1.43
- Author:
- EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation.
- Year:
- 2 010
- Bibliographic source:
- http://www.epa.gov/opptintr/exposure/pubs/episuite.htm
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR calculation
- GLP compliance:
- no
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- N,N'-(3,3'-dimethylbiphenyl-4,4'-ylene)di(acetoacetamide)
- EC Number:
- 202-111-1
- EC Name:
- N,N'-(3,3'-dimethylbiphenyl-4,4'-ylene)di(acetoacetamide)
- Cas Number:
- 91-96-3
- Molecular formula:
- C22H24N2O4
- IUPAC Name:
- N-{2-methyl-4-[3-methyl-4-(3-oxobutanamido)phenyl]phenyl}-3-oxobutanamide
- Details on test material:
- purity: > 99%
Constituent 1
Results and discussion
Vapour pressure
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 mm Hg
- Remarks on result:
- other: Modified Grain Method
Applicant's summary and conclusion
- Conclusions:
- VP: 1.13E-6 mm Hg.
The vapour pressure was calculated by EpiSuite's MPBPVP model. - Executive summary:
The vapour pressure was calculated by EpiSuite's MPBPVP model and found to be 1.13E-6 mm Hg.
This corresponds to a vapour pressure of 0.00015 Pa.
Naphtol AS-G is considered to be inside the applicability domain of the EpiSuite MPBPVP model since the following criteria are fulfilled:
- the molecular weight of Naphtol AS-G is within the molecular weight range of the training set
- Naphtol AS-G has a limited number of functional groups
- all functional groups present in Naphtol AS-G are represented in the training set and have a fragment coëfficiënt available.
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.
