Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Study period:
March 24, 2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimation method using accepted calculation method.

Data source

Referenceopen allclose all

Reference Type:
other: software
Title:
Unnamed
Year:
2011
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report Date:
2011

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPI Suite v4.10
Release year:
2 011
Media:
other: air - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES: C1(=O)C2C(C(=O)O1)C(C)C=CC2
Experimental Melting Point: 58.7 deg C
Experimental Boiling Point: 293.2 deg C
Experimental Log Kow: 1.75

Results and discussion

Percent distribution in media

Air (%):
0.187
Water (%):
40.6
Soil (%):
59.1
Sediment (%):
0.091

Any other information on results incl. tables

-------------------------------------------- Fugacity Results --------------------------------------------

Compound Being Estimated:

 Chem Name: 1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-

 Molecular Wt: 166.18

 Henry's LC: 2.51e-005 atm-m3/mole (Henrywin program)

 Vapor Press: 0.00136 mm Hg (Mpbpwin program)

 Liquid VP: 0.00293 mm Hg (super-cooled)

 Melting Pt: 58.7 deg C (user-entered)

 Log Kow: 1.75 (user-entered)

 Soil Koc: 10 (KOCWIN MCI method)

 

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      0.187          1.04        1000      

  Water    40.6           360         1000      

  Soil     59.1           720         1000      

  Sediment 0.0914         3.24e+003   0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      2.72e-012   1.24e+003  18.5       41.3       0.617    

  Water    3.04e-010   775        403        25.8       13.4     

  Soil     9.11e-009   564        0          18.8       0        

  Sediment 2.76e-010   0.194      0.0181     0.00647    0.000605 

 

  Persistence Time: 331 hr

  Reaction Time:   385 hr

  Advection Time:  2.35e+003 hr

  Percent Reacted: 86

  Percent Advected: 14

 

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

     Air:    1.035

     Water:   360

     Soil:    720

     Sediment: 3240

     Biowin estimate: 2.832 (weeks)

 

  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 has been calculated using a Fugacity model according to Mackay, Level III. Soil and water were found to be the major target compartments.