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EC number: 271-547-2 | CAS number: 68585-02-4
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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
EPISuite 4.11
2. MODEL (incl. version number)
MPBPWIN (Version 1.43)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Linear derivate with 3 chains (C2)
SMILES : CC(=O)N(CCN)CCN(CCN(CCN)C(C)=O)C(C)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Refer to attached document
5. APPLICABILITY DOMAIN
Refer to attached document
6. ADEQUACY OF THE RESULT
The structures are covered by the training set. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The vapour pressure was calculated using EPIWIN v4.00, MPBPVP v1.43
- GLP compliance:
- no
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- The vapour pressure was estimated to be 5.34E-6 Pa at 25 °C.
- Executive summary:
The vapour pressure of Octadecanoic acid, reaction products with acetic acid and tetraethylenepentamine was calculated using EPIWIN v4.00, MPBPVP v1.43, based on SMILES code of the main constituent. Moreover the lowest chain length was used which pose a worst case.
The structures are covered by the training set and thus result is considered adequate.
The vapour pressure was estimated to be 5.34E-6 Pa at 25 °C.
Reference
Description of key information
The vapour pressure of Octadecanoic acid, reaction products with acetic acid and tetraethylenepentamine was calculated using EPIWIN v4.00, MPBPVP v1.43, based on SMILES code of the main constituent. Moreover the lowest chain length was used which pose a worst case.
The structures are covered by the training set and thus result is considered adequate.
The vapour pressure was estimated to be 5.34E-6 Pa at 25 °C.
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.
