Registration Dossier

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:
calculated 2013-02-15
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013
Report Date:
2013

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
self-made, equivalent to Level I V. 2.11 with standard settings
Release year:
2 013
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Test material form:
other: Clear yellowish liquid
Details on test material:
2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid as used in studies on input data

Study design

Test substance input data:
Molecular weight: 400.54 g/mol
log Kow: 4.20
Vapour pressure: 0.0000031 Pa
Water solubility: 0.614 g/l
Melting point: < 20 °C
Environmental properties:
Air: 6 000 000 000 m³, 1.206 kg/m³
Water: 7 000 000 m³, 1000 kg/m³
Soil: 45 000 m³, 1500 kg/m³, 2 % OC
Sediment: 21 000 m³, 1300 kg/m³, 5 % OC
Susp. sediment: 35 m³, 1500 kg/m³, 16.7 % OC
Fish: 7 m³, 1000 kg/m³, 5 % fat
Aerosol: 0.12 m³, 1500 kg/m³

Temperature: 20 °C

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
27.726
Soil (%):
35.81
Sediment (%):
36.208
Susp. sediment (%):
0.233
Biota (%):
0.023
Aerosol (%):
0.001
Other distribution results:
According to a Mackay Level I model calculation, the main target compartments for Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, caprolactam-blocked will be sediment (50.1 %) and soil (49.5 %).

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation, the main target compartments for 2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid will be sediment (36.2 %), soil (35.8 %) and water (27.7 %). The proportions will differ for the individual constituents due to their differing individual properties.
Executive summary:

According to a Mackay Level I model calculation, the main target compartments for 2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid will be sediment (36.2 %), soil (35.8 %) and water (27.7 %). The proportions will differ for the individual constituents due to their differing individual properties.