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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 2012-03-14
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:
2012
Report date:
2012

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:
2 012
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
(1r,4r)-N1,N1,N4,N4-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
EC Number:
700-597-4
Cas Number:
1215841-86-3
Molecular formula:
C16H30N2O6
IUPAC Name:
(1r,4r)-N1,N1,N4,N4-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
trans-N1,N1,N4,N4-tetrakis(2-hydroxyethyl)-1,4-cyclohexanedicarboxamide as used in studies on input data

Study design

Test substance input data:
Molecular weight: 346.43 g/mol
log Kow: -1.31
Vapour pressure: 0.00027 Pa
Water solubility: 147 g/l
Melting point: 182 °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 (%):
99.999
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation, the main target compartment for trans-N1,N1,N4,N4-tetrakis(2-hydroxyethyl)-1,4-cyclohexanedicarboxamide will be the hydrosphere (99.9992 %).
Executive summary:

According to a Mackay Level I model calculation, the main target compartment for trans-N1,N1,N4,N4-tetrakis(2-hydroxyethyl)-1,4-cyclohexanedicarboxamide will be the hydrosphere (99.9992 %).