Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Modelling
Title:
Fugacity
Author:
EPISUITE v4.1
Year:
2013
Bibliographic source:
US EPA. 2013. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.1.1. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
[2-butyl-4-chloro-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol
EC Number:
601-329-8
Cas Number:
114798-26-4
Molecular formula:
C22H23ClN6O
IUPAC Name:
[2-butyl-4-chloro-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol
Details on test material:
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : Losartan free acid
Molecular Wt: 422.92
Henry's LC : 1.28e-006 atm-m3/mole (calc VP/Wsol)
Vapor Press : 1.1e-005 mm Hg (user-entered)
Log Kow : 1.1 (user-entered)
Soil Koc : 1.41e+005 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Air (%):
0.113
Water (%):
6.86
Soil (%):
45.6
Sediment (%):
47.5

Any other information on results incl. tables

  Level III Fugacity Model (Full-Output):

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

 Chem Name  : Losartan free acid

 Molecular Wt: 422.92

 Henry's LC : 1.28e-006 atm-m3/mole (calc VP/Wsol)

 Vapor Press : 1.1e-005 mm Hg (user-entered)

 Log Kow    : 1.1 (user-entered)

 Soil Koc   : 1.41e+005 (KOCWIN MCI method)

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      0.113          5.04        1000      

  Water    6.86           900         1000      

  Soil     45.6           1.8e+003    1000      

  Sediment 47.5           8.1e+003    0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      3.52e-012   908        66         30.3       2.2      

  Water    4.99e-012   308        401        10.3       13.4     

  Soil     1.32e-013   1.02e+003  0          34.2       0        

  Sediment 6.2e-012    237        55.5       7.91       1.85     

 

  Persistence Time: 1.95e+003 hr

  Reaction Time:   2.36e+003 hr

  Advection Time:  1.12e+004 hr

  Percent Reacted: 82.6

  Percent Advected: 17.4

 

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

     Air:     5.04

     Water:   900

     Soil:    1800

     Sediment: 8100

       Biowin estimate: 2.441 (weeks-months)

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion

Executive summary:

The estimated environmental distribution endpoint summary is included for use in the exposure modelling in the Chesar tool.