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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:
2010-07-14
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method with acceptable restrictions: Default value for water solubility.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010
Report date:
2010

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:
2 010
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
2,2,4(or 2,4,4)-trimethylhexane-1,6-diamine
EC Number:
247-063-2
EC Name:
2,2,4(or 2,4,4)-trimethylhexane-1,6-diamine
Cas Number:
25513-64-8
Molecular formula:
C9H22N2
IUPAC Name:
2,2,4-trimethylhexane-1,6-diamine; 2,4,4-trimethylhexane-1,6-diamine
Test material form:
other: liquid in studies for input data
Details on test material:
2,2,4(2,4,4)-Trimethylhexane-1,6-diamine as used in studies on input data

Study design

Test substance input data:
Molecular weight: 158.29 g/mol
log Kow: -0.3
Vapour pressure: 4.0 Pa
Water solubility: 1000 g/l
Melting point: -80.0 °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 (%):
0.022
Water (%):
99.97
Soil (%):
0.004
Sediment (%):
0.004
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 2,2,4(2,4,4)-trimethylhexane-1,6-diamine will be the hydrosphere (99.97 %), followed the atmosphere 0.02 %).
Executive summary:

According to a Mackay Level I model calculation, the main target compartment for 2,2,4(2,4,4)-trimethylhexane-1,6-diamine will be the hydrosphere (99.97 %), followed the atmosphere 0.02 %).