Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: 2f: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: modeling
Title:
Level III Fugacity model predictions from EPIWIN v 3.10; PC-Computer software developed by EPA's Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC)
Author:
U.S. EPA (U.S. Environmental Protection Agency)
Year:
2007

Materials and methods

Model:
calculation according to Mackay, Level III
Release year:
2 007
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Dimethyl sulfoxide
EC Number:
200-664-3
EC Name:
Dimethyl sulfoxide
Cas Number:
67-68-5
Molecular formula:
C2H6OS
IUPAC Name:
dimethyl sulfoxide

Study design

Test substance input data:
Henry's LC: 8.6e-7 atm-m3/mole
Vapour Press: 0.42 mm Hg 
Log Kow: -1.35  (Kowwin program) Soil Koc: 0.15  (Gerstl' equation)

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin)
Air:      4.14
Water:    360
Soil:     720
Sediment: 3240
Biowin estimate: 3.027  (weeks)

Results and discussion

Percent distribution in media

Air (%):
0.59
Water (%):
48.1
Soil (%):
51.3
Sediment (%):
0.09
Other distribution results:
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air:      4.14
Water:    360
Soil:     360
Sediment: 1440

Biowin estimate: 3.027  (weeks)

Any other information on results incl. tables

Henry's LC: 1.51e-9 atm-m3/mole (Henry database)
Vapour Press: 0.622 mm Hg  (Mpbpwin program)
Log Kow: -1.35  (Kowwin program)
Soil Koc: 0.0183  (calc by model)

*         Mass Amount    Half-Life    Emissions
          (percent)        (hr)       (kg/hr)
Air       0.0458          4.14         1000       
Water     45.9            360          1000       
Soil      53.9            360          1000       
Sediment  0.0766          1.44e+003    0          


*         Fugacity    Reaction    Advection   Reaction
           (atm)      (kg/hr)      (kg/hr)    (percent)
             
Air       1.74e-012    93.3        5.57        3.11
Water     5.41e-014    1.08e+003   559         35.9
Soil      2.35e-012    1.26e+003   0           42.1
Sediment  4.5e-014     0.449       0.0186      0.015

          Advection
          (percent)
Air       0.186
Water     18.6
Soil      0
Sediment  0.000622

*Persistence Time: 406 hr
Reaction Time:    500 hr
Advection Time:   2.15e+003 hr
Percent Reacted:  81.2
Percent Advected: 18.8

*Advection Times (hr):
Air:      100
Water:    1000
Sediment: 5e+00

Applicant's summary and conclusion