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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:
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

Constituent 1
Chemical structure
Reference substance name:
Penta-1,3-diene
EC Number:
207-995-2
EC Name:
Penta-1,3-diene
Cas Number:
504-60-9
Molecular formula:
C5H8
IUPAC Name:
penta-1,3-diene

Results and discussion

Any other information on results incl. tables

Distribution ofpenta-1,3-dienein 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

3.49

90.5

5.61

0.381

54 hours

Reacted: 93.2%

Advected: 6.78%

Release to air:

Air: 1000 kg/hr

Water: 0 kg/hr

Soil: 0 kg/hr

 

100

0.0262

0.0163

0.00011

2.41 hours

Reacted: 97.6%

Advected: 2.41%

Release to water:

Air 0 kg/hr

Water 1000 kg/hr

Soil 0 kg/hr

0.594

99

0.000097

0.416

148 hours

Reacted: 84.5%

Advected: 15.5%

Release to soil:

Air 0 kg/hr

Water 0 kg/hr

Soil 1000 kg/hr

20.4

1.11

78.4

0.00468

11.6 hours

Reacted: 97.6%

Advected: 2.38%

Release to air and water:

Air 1000 kg/hr

Water 1000 kg/hr

Soil 0 kg/hr

2.19

97.4

0.000357

0.41

75.2 hours

Reacted: 91%

Advected: 8.97%

Release to air and soil:

Air 1000 kg/hr

Water 0 kg/hr

Soil 1000 kg/hr

34.1

0.926

64.9

0.00389

7 hours

Reacted: 97.6%

Advected: 2.4%

Release to water and soil:

Air 0 kg/hr

Water 1000 kg/hr

Soil 1000 kg/hr

2.04

91.9

5.7

0.386

79.8 hours

Reacted: 91%

Advected: 8.96%

Applicant's summary and conclusion

Conclusions:
The data on environmental distribution of penta-1,3-diene obtained from the level III fugacity model confirms that penta-1,3-diene degrades fast and depending on various emission scenarios, most of penta-1,3-diene will be removed from the environment by means of abiotic and biotic degradation.