Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Regulatory accepted QSAR method for organic chemicals properties assessment
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2009

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
level III fugacity model (EPI Suit v.4.00)
Release year:
2 009
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Any other information on results incl. tables

Overview of distribution modelling data on styrene

Method

 

Results

Remarks

Reference

Media: air-water-soil sediment

 

Calculation according to

Mackay, Level III

 

Calculation programme:

level III fugacity model

(EPI Suite v.4.00)

Percent distribution in

media:

 

Air (%): 1.25

Water (%): 27.5

Soil (%): 70.8

Sediment (%): 0.492

2 (reliable with

restrictions)

 

key study

 

(Q)SAR

US EPA

(EPI Suite

v.4.00)

 

Distribution of styrene in environment as predicted level III fugacity model

Modelling Scenario, Emissions (kg/hour)

Environmental Media

 

Persistence time, hr

Amount reacted;

Amount advected

Air

Water

Soil

Sediment

Release to air, water and soil:

Air: 1000 kg/hr

Water: 1000 kg/hr

Soil: 1000 kg/hr

1.25

27.5

70.8

0.492

235 hours

Reacted: 90.6%

Advected: 9.4%

Release to air:

Air: 1000 kg/hr

Water: 0 kg/hr

Soil: 0 kg/hr

 

98.3

0.773

0.922

0.0138

4.6 hours

Reacted: 95.5%

Advected: 4.52%

Release to water:

Air 0 kg/hr

Water 1000 kg/hr

Soil 0 kg/hr

1.01

97.2

0.00945

1.74

197 hours

Reacted: 78.9%

Advected: 21.1%

Release to soil:

Air 0 kg/hr

Water 0 kg/hr

Soil 1000 kg/hr

0.462

0.435

99.1

0.0078

503 hours

Reacted: 97.5%

Advected: 2.54%

Release to air and water:

Air 1000 kg/hr

Water 1000 kg/hr

Soil 0 kg/hr

3.23

95

0.0303

1.7

101 hours

Reacted: 87.2%

Advected: 12.8%

Release to air and soil:

Air 1000 kg/hr

Water 0 kg/hr

Soil 1000 kg/hr

1.35

0.439

98.2

0.00785

254 hours

Reacted: 96.5%

Advected: 3.53%

Release to water and soil:

Air 0 kg/hr

Water 1000 kg/hr

Soil 1000 kg/hr

0.615

27.7

71.2

0.495

350 hours

Reacted: 88.2%

Advected: 11.8%

Applicant's summary and conclusion

Conclusions:
The data on environmental distribution of styrene obtained from the level III fugacity model confirms that styrene degrades fast and depending on various emission scenarios, most of styrene will be removed from the environment by means of abiotic and biotic degradation.