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:
Not applicable
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculation, use of an accepted calculation procedure acceptable with restrictions

Data source

Reference
Reference Type:
other: Computer Model
Title:
EPISuite v4.0
Author:
USEPA
Year:
2008
Bibliographic source:
USEPA OPPT Risk Assessment Division

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Episuite v.4.0
Release year:
2 008
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Not applicable

Study design

Test substance input data:
Melting Point -35°C Boiling Point 370°C, Water Solubility 2.69mg/L, Vapour Pressure 0.0000075 mmHg, Log Kow 4.84
Environmental properties:
Not applicable

Results and discussion

Percent distribution in media

Air (%):
1.4
Water (%):
21.6
Soil (%):
72.3
Sediment (%):
4.67
Other distribution results:
see information on results incl. tables

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

 Chem Name  : 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester

 Molecular Wt: 312.37

 Henry's LC : 1.26e-006 atm-m3/mole (Henry database)

 Vapor Press : 7.5e-006 mm Hg (user-entered)

 Log Kow    : 4.84 (user-entered)

 Soil Koc   : 7.16e+003 (KOCWIN MCI method)

 

               Mass Amount   Half-Life   Emissions

                 (percent)       (hr)      (kg/hr)

  Air             1.4            23.2      1000      

  Water     21.6           360         1000      

  Soil         72.3           720         1000      

  Sediment 4.67         3.24e+003   0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air                      1.55e-011   660        221        22         7.38     

  Water                  6.81e-012   659        342        22         11.4     

  Soil                      1.49e-012   1.1e+003   0        36.7       0        

  Sediment               4.31e-012   15.8       1.48       0.526      0.0492   

 

  Persistence Time: 527 hr

  Reaction Time:   649 hr

  Advection Time:  2.8e+003 hr

  Percent Reacted: 81.2

  Percent Advected: 18.8

 

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

     Air:                 23.23

     Water:            360

     Soil:                720

     Sediment:   3240

       Biowin estimate: 3.110 (weeks      )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Results from the Level III fugacity model are:

Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.4 23.2 1000
Water 21.6 360 1000
Soil 72.3 720 1000
Sediment 4.67 3.24e+003 0
Persistence Time: 527 hr
Executive summary:

EpiSuite v.4.0 has provided Level III fugacity model showing distribution of the substance. This method is considered adquate for assessment. Distribution of the substance is Air 1.4%, Water 21.6%, Soil 72.3%, Sediment 4.67%, with half life (hr) of air 23.2, water 360, soil 720 and sediment 3.24e+003.