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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:
2009
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
There are no guidelines on how to conduct this type of modelling but the methods described are well accepted scientifically. The model used for predicting transport between environmental compartments was Level III fugacity model (method Mackay Level III).

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Model:
calculation according to Mackay, Level III
Release year:
2 004

Test material

Study design

Environmental properties:


INPUT PARAMETERS

Chemical Type: 1
Molecular Mass (g/mol): 190.2388
Data Temperature (Degrees Celsius): 20
Log Kow: 0.61
Water Solubility (g/m3): 183000
Water Solubility (mol/m3): 962
Henry's Law Constant (Pa.m3/mol): 0.0108
Vapour Pressure (Pa): 10.4
Melting Point (Degrees Celsius): -25.2

Results and discussion

Percent distribution in media

Air (%):
0.1
Water (%):
99.9
Soil (%):
0.1
Sediment (%):
0.1
Other distribution results:
Reported distribution based on emission scenario for 1000 kg/hr to water. This is the most probable emission route based on physical properties and use patterns.

Any other information on results incl. tables

Level III: Predicted distribution of DPMA among air, water, soil, and sediments

 

Emission Scenario

Percentage and amount distributed to

Residence Time (days)

[without advection in brackets]

Air

Water

Soil

Sediment

1,000 kg/hr to Air

0.7%

5291 kg

56.1%

4.22 x 105 kg

43.2%

3.25 x 105kg

<0.1%

174 kg

70

[ 31]

1,000 kg/hr to Water

<0.1%

5 kg

99.9%

8.38 x 105 kg

<0.1%

302 kg

<0.1 %

347 kg

35

[216]

1,000 kg/hr to Soil

<0.1%

613 kg

55.2%

7.45 x 105 kg

44.7%

6.03 x 105kg

<0.1%

308 kg

56

[234]

1,000 kg/hr simultaneously to Air, Water, and Soil

 0.2%

5910 kg

68.2%

2.00 x 106kg

31.6%

9.28 x 105kg

<0.1%

829 kg

41

[144]

Highlighted scenario indicates most probable emission route, based on physical properties and use patterns

Applicant's summary and conclusion

Executive summary:

The environmental distribution and transport of dipropylene glycol methyl ether acetate (DPMA) between environmental compartments (air, water, soil, and sediments) was predicted using a Level III fugacity model. Input values required by the model include molecular weight, melting point, water solubility, vapor pressure, and octanol/water partition coefficient.  In addition to these parameters, the model requires input of measured or estimated half-lives for reaction in air, water, soil, and sediments. The model incorporates transport rates into and between environmental compartments, and allows for losses of the compound due to advection or degradation processes. 

 

This substance has high water solubility, a very low vapor pressure, and low log Kow. The substance therefore has a low potential for adsorption to soil or sediments, and a low potential to volatilize from water or soil to the atmosphere. If released to air, the substance will react with hydroxyl radicals. If released directly to water, the most probable emission route based on physical properties and use patterns, most of the substance will remain in the water compartment and is expected to be biodegraded. If released to soil, the substance is expected to be biodegraded. These modeling calculations, and associated input emission rates and output environmental concentrations, are intended solely to illustrate potential for distribution and transport of the substance among environment compartments. These results are not intended for use in derivation of predicted environmental concentrations (PEC) for specific compartments and/or use patterns. 

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