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:
2002
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:
2002

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I V 2.11 Model
Release year:
2 002
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Isophorone diamine as used in studies on input data

Study design

Test substance input data:
Molecular weight: 170.30 g/mol
log Kow: 0.99
Vapour pressure: 2 Pa
Water solubility: 764 g/l
Melting point: 10 °C
- The value for the water solubility is based on a QSAR Henry's Law constant of 0.000446 Pa m3/mol and a vapour pressure of 2 Pa:
Water Solubility = 2 Pa x 170.30 g/mol / (0.000446 Pa m3/mol x 1000 l / m3)
Environmental properties:
Temperature: 20 °C
------------------------------------------------------------
Volumes, densities, and organic carbon / fat concentration:
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

Results and discussion

Percent distribution in media

Air (%):
0.016
Water (%):
99.829
Soil (%):
0.077
Sediment (%):
0.078
Susp. sediment (%):
0.001
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation, the main target compartment for isophorone diamine will be the hydrosphere (99.8 %), followed by sediment and soil (0.08 % each).
Executive summary:

According to a Mackay Level I model calculation, the main target compartment for isophorone diamine will be the hydrosphere (99.8 %), followed by sediment and soil (0.08 % each).