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Diss Factsheets

Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data are from an estimation program

Data source

Reference
Reference Type:
other:
Title:
EPISuite v 3.12 (October 2006).
Author:
United States Environmental Protection Agency- Office of Pollution Prevention and Toxics and Syracuse Research Corporation
Year:
2000
Bibliographic source:
EPISuite v 3.12 (October 2006).

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Data are from an estimation program EPISUITE v3.12.
Media:
other: air/water/soil/sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
Resorcinol
EC Number:
203-585-2
EC Name:
Resorcinol
Cas Number:
108-46-3
Molecular formula:
C6H6O2
IUPAC Name:
resorcinol

Study design

Test substance input data:
Input parameters:  MP=110C, BP=277C, WS=7.17E+005 mg/L, VP=0.000489 mmHg, Log Kow = 0.80 using BIOWIN calculations and 1000 kg/hr emissions to a variety of permutations of media. Results presented are from loading to water as these most closely reflect anticipated releases.

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
99.8
Soil (%):
0
Sediment (%):
0.194
Other distribution results:
None

Any other information on results incl. tables

Results are presented as permutations for loading into a range of environmental media:

1) Mass
                 Amount (%)         Emissions (kg/hr)                
Air         :    0.00222 %             1000                       
Water     :    36.1%           1000                 
Soil        :   63.8%    1000                       
Biota      :  0.07%    0                             

2) Mass
                Amount (%)          Emissions (kg/hr)
Air        :     0.00572 %             1000
Water   :      23%                 0
Soil       :     77%                 0
Biota     :    0.0446%               0

3) Mass
                Amount (%)          Emissions (kg/hr)
Air         :     3.99 e-009 %          0
Water   :      99.8%             1000
Soil       :      5.37 e-005 %       0
Biota     :      0.194 %               0

4) Mass
  Amount (%)         Emissions (kg/hr)
Air         :        8.92e-007 %           0
Water   :         19.1%     0
Soil       :         80.9%     1000
Biota     :         0.037%                  0

5) Mass
       Amount (%)          Emissions (kg/hr)
Air         :      0.00382 %              1000
Water     :       48.4%              1000
Soil        :        51.5%              0
Biota      :        0.0939%                0

6) Mass
                Amount (%)          Emissions (kg/hr)
Air         :         0.00275 %              1000
Water     :        21%                        0
Soil        :         79%       1000
Biota      :         0.

Applicant's summary and conclusion

Conclusions:
The EQC Level III Fugacity model (US EPA, 2006, EPISUITE v3.12) was used to evaluate the fate, transport and distribution of resorcinol between environmental matrices. Level III Fugacity modeling, using loading rates for air, soil, and water of 1000 kg/h for each media and the following input parameters: MP=110C, BP=277C, WS=7.17E+005 mg/L, VP=0.000489 mmHg, Log Kow = 0.80 using BIOWIN calculations and 1000 kg/hr emissions, shows the following percent distribution: air = 0.00222%; water = 36.1%; soil = 63.8%; sediment = 0.07%.