Registration Dossier

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:
2008
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculation with a valid tool
Cross-reference
Reason / purpose:
reference to same study

Data source

Reference
Reference Type:
other: computer model
Title:
Level III Fugacity model in EPI suite 4.0
Author:
Mackay D
Year:
2008
Bibliographic source:
US Environmental Protection Agency EPI suite 4.0 Level III Fugacity model

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPI suite 4.0 of U.S EPA
Release year:
2 008
Media:
other: air-water-soil-sediment

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Percent distribution in media

Air (%):
0.006
Water (%):
0.698
Soil (%):
39.8
Sediment (%):
59.5

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

=======================================

 Chem Name  :

 Molecular Wt: 768.91

 Henry's LC : 5.02e-023 atm-m3/mole (Henrywin program)

 Vapor Press : 6.96e-Hg (Mpbpwin program)

 Liquid VP  : 1.14e-Hg (super-cooled)

 Melting Pt : 350 deg C (Mpbpwin program)

 Log Kow    : 7.23 (Kowwin program)

 Soil Koc   : 8.56e+007 (KOCWIN MCI method)

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      0.00568        1.4         1000      

  Water    0.698          4.32e+003   1000      

  Soil     39.8           8.64e+003   1000      

  Sediment 59.5           3.89e+004   0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      7.49e-030   924        18.7       30.8       0.623    

  Water    5.76e-031   36.8       230        1.23       7.66     

  Soil     2.31e-032   1.05e+003  0          35         0        

  Sediment 1.56e-030   349        392        11.6       13.1     

 

  Persistence Time: 1.1e+004 hr

  Reaction Time:   1.39e+004 hr

  Advection Time:  5.14e+004 hr

  Percent Reacted: 78.7

  Percent Advected: 21.3

 

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

     Air:     1.401

     Water:   4320

     Soil:    8640

     Sediment: 3.888e+004

       Biowin estimate: 1.604 (recalcitrant)

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Distribution of the substance in multimedia has been assessed with level III Fugacity model of Mackay from EPI suite 4.0 and indicates a maximum percentage of substance in sediment 59.5%, then in soil: 39.8%, in water 0.698% and 0.00568% in air.
Executive summary:

Distribution of the substance in multimedia has been assessed with level III Fugacity model of Mackay from EPI suite 4.0 and indicates a maximum percentage of substance found in sediment with 59.5%, then in soil: 39.8%, in water 0.698% and 0.00568% in air.