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EC number: 291-905-1 | CAS number: 90506-43-7
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
Phosphoric acid, dodecyl ester, potassium salt
CAS Number: 39322-78-6
SMILES : C(CCCCCCCCCCC)OP(=O)(O)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 substance is within the molecular weight range of 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
- Type of method:
- other: QSAR
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Modified Grain method
- Conclusions:
- The vapour presse is estimated to be 1.5E-6 Pa at 25 °C.
- Executive summary:
The vapour pressure of Phosphoric acid, C12-18-alkyl esters, potassium salts was calculated using EPIWIN v4.00, MPBPVP v1.43, based on SMILES code of the main constituent Phosphoric acid, dodecyl ester, potassium salt.
Moreover this substance is the ester with the lowest chain length and therefore considered a worst case as well.
The substance is within the molecular weight range of the training set and thus considered adequate.
The vapour presse is estimated to be 1.5E-6 Pa at 25 °C.
Reference
The vapour pressure of Phosphoric acid, C12-18-alkyl esters, potassium salts was calculated using EPIWIN v4.00, MPBPVP v1.43, based on SMILES code of the main constituent Phosphoric acid, dodecyl ester, potassium salt. Moreover this substance is the ester with the lowest chain length and therefore considered a worst case as well.
The substance is within the molecular weight range of the training set and thus considered adequate.
Description of key information
The vapour pressure of Phosphoric acid, C12-18-alkyl esters, potassium salts was calculated using EPIWIN v4.00, MPBPVP v1.43, based on SMILES code of the main constituent Phosphoric acid, dodecyl ester, potassium salt.
Moreover this substance is the ester with the lowest chain length and therefore considered a worst case as well.
The substance is within the molecular weight range of the training set and thus considered adequate.
The vapour presse is estimated to be 1.5E-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.
