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Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2015
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Generally accepted calculation method.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
Release year:
1 999
Media:
other: air-biota-sediment(s)-soil-water-aerosol

Test material

Constituent 1
Chemical structure
Reference substance name:
N-isopropyl-N'-phenyl-p-phenylenediamine
EC Number:
202-969-7
EC Name:
N-isopropyl-N'-phenyl-p-phenylenediamine
Cas Number:
101-72-4
Molecular formula:
C15H18N2
IUPAC Name:
N1-phenyl-N4-(propan-2-yl)benzene-1,4-diamine
Details on test material:
results related to pure substance

Results and discussion

Percent distribution in media

Air (%):
3.28
Water (%):
88.4
Soil (%):
4.12
Sediment (%):
4.16
Susp. sediment (%):
0.027
Biota (%):
0.003
Aerosol (%):
0.014

Any other information on results incl. tables

In the model N-isopropyl-N'-phenyl-p-phenylenediamine is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried at an environmental temperature of 20 °C.

Applicant's summary and conclusion

Conclusions:
The main target compartment for N-isopropyl-N'-phenyl-p-phenylenediamine is water with 88.40 %, followed by sediment with 4.16 %, soil with 4.12 % and air with 3.28 %.
Executive summary:

The distribution of N-isopropyl-N'-phenyl-p-phenylenediamine in a "unit world" was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for N-isopropyl-N'-phenyl-p-phenylenediamine is water with 88.40 %, followed by sediment with 4.16 %, soil with 4.12 % and air with 3.28 %.