Registration Dossier
Registration Dossier
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EC number: 827-581-0 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- August 2018
- 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 limited documentation / justification
- Justification for type of information:
- Results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- MPBPWIN estimates vapor pressure (VP) by three separate methods: (1) the Antoine method, (2) the modified Grain method, and (3) the Mackay method. All three use the normal boiling point to estimate VP. Unless the user enters a boiling point on the data entry screen, MPBPWIN uses the estimated boiling point from the adapted Stein and Brown method as described in the Boiling Point section of the MPBPWIN v1.43 model user guide.
Additional information concerning the Antoine method, the modified Grain method and the Mackay method for predicting the vapour pressure of substances can be found within the MPBPWIN v1.43 model help files. - GLP compliance:
- no
- Specific details on test material used for the study:
- As SCMI is a complex UVCB, a SMILES string for a representative major constituent (sodium dodecyl methyl isethionate, SLMI) was used as input to the model:
CCCCCCCCCCCC(OCC(C)S(=O)(O[Na])=O)=O - Key result
- Test no.:
- #1
- Temp.:
- ca. 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Calculated using the modified grain method
- Conclusions:
- The vapour pressure of the substance was calculated to be 1.5E-9 Pa
- Executive summary:
The US EPA EPI Suite QSAR model software package (MPBPWIN v.143) was used to predict the vapour pressure of SCMI
As SCMI is a complex UVCB, a SMILES string for a representative constituent (sodium dodecyl methyl isethionate) was used as input to the model:
CCCCCCCCCCCC(OCC(C)S(=O)(O[Na])=O)=O
The vapour pressure of the substance was calculated to be 1.5E-9 Pa
Reference
Description of key information
The US EPA EPI Suite QSAR model software package (MPBPWIN v.143) was used to predict the vapour pressure of SCMI
As SCMI is a complex UVCB, a SMILES string for a representative constituent (sodium dodecyl methyl isethionate) was used as input to the model:
CCCCCCCCCCCC(OCC(C)S(=O)(O[Na])=O)=O
The vapour pressure of the substance was calculated to be 1.5E-9 Pa
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 20 °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.
