Fatty acids, coco, 2-sulfoethyl esters, sodium salts

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Study period:

2013

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Level 1 distribution modelling has been performed using a validated level I spreadsheet model

Materials and methods

Model:

calculation according to Mackay, Level I

Calculation programme:

Validated Spreadsheet model according to publication of D. Mackay.

Test material

Test material information

Constituent 1

Reference substance name:

Dodecyl fatty acids, 2-sulfoethyl ester, sodium salt

IUPAC Name:

Dodecyl fatty acids, 2-sulfoethyl ester, sodium salt

Study design

Test substance input data:

MW = 332.43 g/mol (C12 derivative)
VP = 0.0015 Pa
S = 102 mg/L
Log K(oct-water) = set to 4.116 to realistically predict sorption to soil/sediment based on back calculation from Koc of 1451 L/kg (non-hydrophobics QSAR EUSES)

Results and discussion

Percent distribution in media

Air (%):

0.008

Water (%):

7.79

Soil (%):

90.14

Sediment (%):

2.003

Susp. sediment (%):

0.063

Biota (%):

0.005

Applicant's summary and conclusion

Conclusions:

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Executive summary:

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