Cyclohexane-1,2,4-triyltris(ethylene)

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Calculated data, internationally accepted method by EPIWIN 4.1 software package

Data source

Reference

Reference 1

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Reference 2

Title:

EPI Suite v 4.10 - Fugacity Model

Bibliographic source:

Fugacity Model Level III - Mackay et al. (1991; 1996)

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

Fugacity model by EPIWIn 4.1; level III fugacity model

Release year:

2 015

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

Cyclohexane-1,2,4-triyltris(ethylene)

EC Number:

220-668-9

EC Name:

Cyclohexane-1,2,4-triyltris(ethylene)

Cas Number:

2855-27-8

Molecular formula:

C12H18

IUPAC Name:

1,2,4-triethenylcyclohexane

Study design

Test substance input data:

Chem Name : CYCLOHEXANE, 1,2,4-TRIETHENYL-
Molecular Wt: 162.28
Henry's LC : 0.303 atm-m3/mole (Henrywin program)
Vapor Press : 0.553 mm Hg (Mpbpwin program)
Log Kow : 5.49 (Kowwin program)
Soil Koc : 4.26e+003 (KOCWIN MCI method)

Environmental properties:

Different emission has used to estimate the distribution in the environment. The default values with continous release of 1000 kg/hr to the compartments air, water and soil has been used for the first estimation. Also the scenario with an emission only into air or emission only into water has been examined.

Results and discussion

Percent distribution in media

Air (%):

2.94

Water (%):

62.4

Soil (%):

26.5

Sediment (%):

8.13

Other distribution results:

A distrubtion of 2.94 % in air, 62.4 % in water, 26.5 % in soil and 8.13 % in sediment is predicted when an emission of 1000 kg/hr into each of the three compartments air, water and soil is assumed. If the release is 1000 kg/hr only in the compartment air, then a distribution of 99.9 % in air, 0.008 % in water, 0.141 % in soil, and 0.001 % in sediment is predicted. If the release occurs only into the comparment of water (1000 kg/hr), a distribution of 0.787 % in air, 87.8 % in water, 0.001% in soil and 11.4 % in sediment is estimated.

Applicant's summary and conclusion

Conclusions:

The estimation of the distribution in the environment with the Mackay model Level III, indicates that the majority of the test substance will distribute to the water compartment if the same amount of substance is release into the compartments air, water, and soil (default values). However, if the release is assumed to occur only into air, the majority of the substance will predominantly stay in the air compartment. Whereas a release only into water indicates that the substance will be predominantly distribute to the water compartment.