Registration Dossier

Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Study period:
2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimation method using accepted calculation method.

Data source

Reference
Reference Type:
other: software
Title:
Unnamed
Year:
2013

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPI Suite v4.11
Release year:
2 011
Media:
other: air - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES: HN(H)(H)OS(=O)(=O)OC(CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)CC

Results and discussion

Percent distribution in media

Air (%):
0.02
Water (%):
17.6
Soil (%):
82.4
Sediment (%):
0

Any other information on results incl. tables

------------- Level III Fugacity Model (Full-Output) -------------

Compound Being Estimated:

Chem Name  : Oils, fish, sulfated, ammonium salts

Molecular Wt: 954.5

Henry's LC : 4.48e-019 atm-m3/mole (Henrywin program)

Vapor Press : 3.99e-027 mm Hg (Mpbpwin program)

Liquid VP  : 6.51e-024 mm Hg (super-cooled)

Melting Pt : 350 deg C (Mpbpwin program)

Log Kow    : 19.7 (Kowwin program)

Soil Koc   : 1e+010 (KOCWIN MCI method)

 

Mass Amount   Half-Life   Emissions

(percent)       (hr)      (kg/hr)

Air      0.0216         0.496       1000

Water    17.6           900         1000

Soil     82.4           1.8e+003    1000

Sediment 3.92e-006      8.1e+003    0

 

Fugacity   Reaction   Advection  Reaction   Advection

(atm)     (kg/hr)     (kg/hr)   (percent)  (percent)

Air      1.29e-030   972        6.95       32.4       0.232

Water    4.95e-037   436        566        14.5       18.9

Soil     2.87e-031   1.02e+003  0          34         0

Sediment 6.16e-037   1.08e-005  2.52e-006  3.59e-007  8.4e-008

 

Persistence Time: 1.07e+003 hr

Reaction Time:   1.32e+003 hr

Advection Time:  5.6e+003 hr

Percent Reacted: 80.9

Percent Advected: 19.1

 

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

Air:     0.4958

Water:   900

Soil:    1800

Sediment: 8100

Biowin estimate: 2.406 (weeks-months)

 

Advection Times (hr):

Air:     100

Water:   1000

Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Distribution in environmental compartments has been calculated using a Fugacity model according to Mackay, Level III. Soil and water were found to be the major target compartments.
Executive summary:

Distribution in environmental compartments of an analogue of the substance (oils, fish, sulfated, ammonium salt) has been calculated using a Fugacity model according to Mackay, Level III, the substance itself not being recognised by teh software used. Soil and water were found to be the major target compartments.