Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

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 and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
The justification for use of QSAR is attached.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR
Deviations:
not applicable
Principles of method if other than guideline:
Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code
GLP compliance:
no
Other quality assurance:
other: ISO 9001
Type of method:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
Benzenesulfonic acid and petroleum sulfonic acids, mono- and di-C10-40-(branched and linear)-alkyl derivs., magnesium salts, overbased
EC Number:
701-168-4
Molecular formula:
MgC32H50S2O6 to MgC104H186S2O6 General series and/or MgC66H98S4O6 to MgC84H142S4O6 Dibenzothiophene series
IUPAC Name:
Benzenesulfonic acid and petroleum sulfonic acids, mono- and di-C10-40-(branched and linear)-alkyl derivs., magnesium salts, overbased

Results and discussion

Vapour pressure
Key result
Vapour pressure:
0 kPa
Remarks on result:
other: QSAR estimation, information on temperature not available

Applicant's summary and conclusion

Conclusions:
The vapour pressure is considered to be 3.02E-15 KPa based on calculation by the EPI modelling programme.
Executive summary:

Removal of mineral oil is not possible without degrading the chemical structure of the substance. It wastherefore considered acceptable to create a weight of evidence approach based upon Quantitative Structural-Activity Relationship (QSAR). The QSAR model of choice was the EPI Suite v4.0 published by the United States Environmental Protection Agency, which has estimated the vapour pressure to be 3.02E-15 KPa.