Reaction mass of 3,6,9-trioxaundecane-1,11-diol and 2,2'-oxydiethanol and 2,2'-(ethylenedioxy)diethanol and 3,6,9,12-tetraoxatetrade

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

read-across based on grouping of substances (category approach)

Adequacy of study:

supporting study

Study period:

prior to or in 2002

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Data were obtained by generally accepted modeling

Justification for type of information:

Read across is based on the category approach. Please refer to attached category document.

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Data source

Reference

Reference Type:

other: Model results

Title:

Unnamed

Year:

2002

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

EPIWIN Level III Fugacity Model

Release year:

2 002

Media:

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

Test material

Test material information

Constituent 1

Reference substance name:

3,6,9-trioxaundecane-1,11-diol

EC Number:

203-989-9

EC Name:

3,6,9-trioxaundecane-1,11-diol

Cas Number:

112-60-7

Molecular formula:

C8H18O5

IUPAC Name:

2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol

Test material form:

not specified

Details on test material:

EPIWIN Level III Fugacity Model used to predict distribution based on physical chemical properties. No test material used.

Study design

Test substance input data:

Inputs to the EPIWIN model for Level III Fugacity, Henry and PcKoc programs were molecular structure, measured data for melting point (-6.2°C), boiling point (327°C), vapor pressure (4.65E-005 mm Hg) and water solubility (1E+006 mg/l). Emissions inputs of 1000 kg/hr were assumed for air, water, and soil, 0 kg/hr for sediment.

Environmental properties:

No additional information available.

Results and discussion

Percent distribution in media

Air (%):

0

Water (%):

45.3

Soil (%):

54.6

Sediment (%):

0.075

Other distribution results:

The following half-lives were calculated based on Biowin (ultimate) and Aopwin: T ½ air = 5.1 hr, water = 360 hr, soil = 360 hr, and sediment = 1.44E+003 hr. The Biowin ultimate value was 3.064 weeks. The Aopwin estimated half life was = 2.548 Hrs. EPIWIN Henry Program (v3.10) was used to calculate a Henry’s Law Constant of 4.91E-013 atm-m3/mole. The EPIWIN Pckoc program (v1.66) estimated a soil sediment partition constant Koc = 10.

Any other information on results incl. tables

No additional information available.

Applicant's summary and conclusion

Conclusions:

Based on Fugacity Model Level III calculations, 55% is expected to be found in soil and 45% in water.

Executive summary:

The distribution of tetraethylene glycol in the environment was examined using Fugacity Model Level III. Based on Fugacity Model Level III calculations, 55% is expected to be found in soil and 45% in water.