Propanol, (2-ethoxymethylethoxy)-

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Recognised method of fugacity calculations

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

publication

Title:

Multimedia Environmental models, the fugacity approach-second edition

Author:

Mackay D

Year:

2001

Bibliographic source:

Lewis, Boca Raton

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

CEMC model, Trent University, 2004, version 2.80.1

Release year:

2 004

Media:

other: all

Study design

Test substance input data:

- Parameters as per physicochemical summary data, chaper 4
- Reaction half-lives used (based on estimates from Epiwin v4.0):
- Air: 11.8hr
- Water: 360hr
- Soil: 720hr
- Sediment: 3240hr
- Suspended sediment: 360hr
- Aerosols: 11.8hr
- Aquatic biota: 240hr
Standard default emission scenarios used to demonstrate sensitivity of emission compartment.

Environmental properties:

TGD defaults

Results and discussion

Percent distribution in media

Air (%):

0.4

Water (%):

67.2

Soil (%):

31.9

Sediment (%):

0.6

Susp. sediment (%):

0

Biota (%):

0

Aerosol (%):

0

Any other information on results incl. tables

Modelling using the standard default patterns to show sensitivity of compartmental emissions to eventual fate:

Emission to air (kg/hr)	1000	3000	0	0
Emission to water (kg/hr)	1000	0	3000	0
Emission to soil (kg/hr	1000	0	0	3000
Air concentration (ng/m3)	66	182	<1	16.3
Water concentration (ug/l)	192	112	273	190
Sediment concentration (ug/kg)	5.4	3.1	7.6	5.3
Soil concentration (ug/kg)	9.7	10.5	<0.1	18.6

 

Based on realistic tonnage (assuming 2500tpa emitted, 50% to air, 40% to water, 10% to air):

 

Emission to air (kg/hr)	143
Emission to water (kg/hr)	114
Emission to soil (kg/hr	29
Air concentration (ng/m3)	8.8
Water concentration (ug/l)	17.6
Sediment concentration (ug/kg)	0.49
Soil concentration (ug/kg)	0.62

Applicant's summary and conclusion

Executive summary:

Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using model inflow parameters all compartments concentrations in the water and sediment compartments are very insensitive to the compartment into which discharges are made.. Discharges to water do not migrate significantly to either the air or soil compartments. Based on worse case assumptions for both emissions and concentrations of use within a region, concentrations of dipropylene glycol ethyl ether in soil and sediment will be less than 1ug/kg and less than 20ug/l in water. Air concentrations are predicted to be negligible.