Benzene, mono-C10-14-alkyl derivs., fractionation bottoms, intermediate cut, sulfonated, sodium salts

Vapour pressure

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:

other: The quoted value is an estimate based on an internationally recognised modelling programme.

Justification for type of information:

QSAR prediction

Data source

Reference

Reference Type:

other: QSAR

Title:

Unnamed

Year:

2013

Materials and methods

Principles of method if other than guideline:

Modified Grain Method. Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code drawn from a database of >40,000 chemicals (called PHYSPROP©) that is included in the EPI Suite™ software.

Test material

Test material information

Constituent 1

Reference substance name:

Benzenesulfonic acid, C16-24-alkyl derivs.

EC Number:

274-262-1

EC Name:

Benzenesulfonic acid, C16-24-alkyl derivs.

Cas Number:

70024-67-8

IUPAC Name:

4-icosylbenzenesulfonic acid

Constituent 2

Reference substance name:

Benzenesulfonic acid, C16-24-alkyl derivs

IUPAC Name:

Benzenesulfonic acid, C16-24-alkyl derivs

Results and discussion

Vapour pressure

Temp.:

25 °C

Vapour pressure:

0 kPa

Applicant's summary and conclusion

Conclusions:

The vapour pressure of the substance is considered to be 1.81E-7 kPa at 25°C based on a QSAR driven by the EPI Suite v4.0.

Executive summary:

Removal of mineral oil is not possible without degrading the chemical struture of the substance. It was therefore 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 1.81E-7 kPa at 25°C