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Diss Factsheets

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: US EPA 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:
2010

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
level III fugacity model (EPI Suit v.4.00)
Release year:
2 010
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethylbenzene
EC Number:
202-849-4
EC Name:
Ethylbenzene
Cas Number:
100-41-4
Molecular formula:
C8H10
IUPAC Name:
ethylbenzene

Results and discussion

Any other information on results incl. tables

Distribution of ethylbenzene in environment as predicted by 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

14.4

35.9

49.1

0.643

175 hours

Reacted: 68.6%

Advected: 31.4%

Release to air:

Air: 1000 kg/hr

Water: 0 kg/hr

Soil: 0 kg/hr

 

99.2

0.281

0.465

0.00504

34.5 hours

Reacted: 65.7%

Advected: 34.3%

Release to water:

Air 0 kg/hr

Water 1000 kg/hr

Soil 0 kg/hr

7.54

90.8

0.0353

1.63

206 hours

Reacted: 65.8%

Advected: 34.2%

Release to soil:

Air 0 kg/hr

Water 0 kg/hr

Soil 1000 kg/hr

9.04

0.409

90.5

0.00733

284 hours

Reacted: 74.2%

Advected: 25.8%

Release to air and water:

Air 1000 kg/hr

Water 1000 kg/hr

Soil 0 kg/hr

20.7

77.8

0.0971

1.39

120 hours

Reacted: 65.8%

Advected: 34.2%

Release to air and soil:

Air 1000 kg/hr

Water 0 kg/hr

Soil 1000 kg/hr

18.8

0.395

80.8

0.00708

159 hours

Reacted: 70%

Advected: 30%

Release to water and soil:

Air 0 kg/hr

Water 1000 kg/hr

Soil 1000 kg/hr

8.41

38.4

52.5

0.687

245 hours

Reacted: 70%

Advected: 30%

Applicant's summary and conclusion

Conclusions:
The data on environmental distribution of ethylbenzene obtained from the level III fugacity model suggest that ethylbenzene will not persist in the environment and depending on various emission scenarios, approx. 70% of ethylbenzene will be degraded by both biotic and abiotic mechanisms and approx. 30% will be physically removed (advected) from the environment.