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
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically accepted calculation method

Data source

Reference
Reference Type:
other: model calculation report
Title:
Unnamed
Year:
2006

Materials and methods

Model:
calculation according to Mackay, Level III
Release year:
2 006
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Test substance input data:
Physico-chemical properties:
molecular mass: 99.13 g/mol
temperature: 20°C          
log Kow: -0.46               
water-solubility: 1000 g/L   
vapour pressure: 0.32 hPa    
melting point: -23.5 °C      
reaction half-lives:  hours     days
air             5.8       0.5 *1
water         360        15   
#1 soil          720        30   
#2 sediment      720        30   
#3 References: * = IUCLID-data:     
1 = Calculated photodegradation (AOP v1.91)        
assumption: OH-radical concentration = 1.5E+06 OH/cm³;                 
12 h-day  # = TGD (2003), part II (table 7 & 8):      

DT50 water, assumption:    readily biodegradable        
DT50 soil, assumption:     readily biodegradable;                                      
log Kow < 4.0     
DT50 sediment, assumption
DT50 sed. ~ DT50 soil  
Environmental properties:
Phase properties, compositions and rates:
----------------------------------------- -         
Volume  Density  Bulk Z   Bulk VZ  Advection flow             (m³)   (kg/m³)                        (m³/h)
Air      1.0E+14     1.2   4.1E-04  4.1E+10     1.0+E12   
Water    2.0E+11  1000     3.2E+02  6.3E+13     2.0+E08
Soil     1.8E+10  1500     9.6E+01  1.7E+12       0  
Sediment 5.0E+08  1280     2.5E+02  1.3E+11     1.0E+04

Intermedia transport velocity parameters: -----------------------------------------                                  
  (m/hour)     (m/year)
Air side air-water MTC              5.0         43800      
Water side air-water MTC            0.05          438
Rain rate                           1.0E-04         0.876
Aerosol deposition velocity         6.0E-10         5.3E-06
Soil air phase diffusion MTC        0.02          175   
Soil water phase diffusion MTC      1.0E-05         0.088
Soil air boundary layer MTC         5.0         43800
Sediment water diffusion MTC        1.0E-04         0.876
Sediment deposition velocity        5.0E-07         4.4E-03 
Sediment resuspension velocity      2.0E-07         1.8E-03
Soil water runoff rate              5.0E-05         0.438
Soil solids runoff rate             1.0E-08         8.8E-05

Results and discussion

Percent distribution in media

Air (%):
0.4
Water (%):
43.2
Soil (%):
56.4
Sediment (%):
0.1
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

RS-Freetext:
Distribution
------------
Scenario 1 (Emission to air)
         Emission rate  Distribution  Transformation (kg/h)
            (kg/h)          (%)       Reaction    Advection
air          1000           1.9        5.8E+02     4.8E+01
water           0          25.6        1.3E+02     6.6E+01
soil            0          72.5        1.8E+02     -
sediment        0           0.0        9.2E-02     1.9E-03
Total mass = 259,000 kg
Persistence = 259 h = 10.8 days
Scenario 2 (Emission to water)           
         Emission rate  Distribution  Transformation (kg/h)
            (kg/h)          (%)       Reaction    Advection
air             0           0.0        6.4E-02     5.4E-03
water        1000          99.9        6.6E+02     3.4E+02
soil            0           0.0        2.0E-02     -
sediment        0           0.1        4.7E-01     9.8E-03
Total mass = 342,000 kg
Persistence = 342 h = 14.3 days
Scenario 3 (Emission to soil)
        Emission rate  Distribution  Transformation (kg/h)
            (kg/h)          (%)       Reaction    Advection
air             0           0.0        2.0E+01     1.7E+00
water           0          22.0        3.0E+02     1.5E+02
soil         1000          77.9        5.3E+02     -
sediment        0           0.0        2.1E-01     4.4E-03
Total mass = 701,000 kg
Persistence = 701 h = 29.2 days
Scenario 4 (Equal release to air, water, and soil)
         Emission rate  Distribution  Transformation (kg/h)
            (kg/h)          (%)       Reaction    Advection
air          1000           0.4        6.0E+02     5.0E+01
water        1000          43.2        1.1E+03     5.6E+02
soil         1000          56.4        7.1E+02     -
sediment        0           0.1        7.8E-01     1.6E-02
Total mass = 1,300,000 kg
Persistence = 434 h = 18.1 days

Applicant's summary and conclusion

Executive summary:

Mackay Level III calculation was performed.

The estimated distribution in environmental compartments is:

Soil: 56.4%,

Water: 43.2%,

Air: 0.4%,

Sediment: 0.1%

others: 0.0%