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Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
calclulated 2016-09-29
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

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:
2 014
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Reaction mass of 2,2,4-trimethylhexane-1,6-diol and 2,4,4-trimethylhexane-1,6-diol
EC Number:
931-714-9
Cas Number:
35255-57-3
Molecular formula:
C9H20O2
IUPAC Name:
Reaction mass of 2,2,4-trimethylhexane-1,6-diol and 2,4,4-trimethylhexane-1,6-diol
Test material form:
liquid

Study design

Test substance input data:
Molecular weight: 160.25 g/mol
log Kow: 0.45
Vapour pressure: 5.3E-4 hPa
Water solubility: 35.5 g/l
Melting point: -83 °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 (%):
0.008
Water (%):
99.947
Soil (%):
0.022
Sediment (%):
0.023
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0.001

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation, the main target compartment for the substance will be water (99.947 %).
Executive summary:

According to a Mackay Level I model calculation, the main target compartment for the substance will be water (99.947 %).