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Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
not specified

2. MODEL (incl. version number)
LEV3EPI

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CN

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.

5. APPLICABILITY DOMAIN
See attached QPRF.

6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- See attached QPRF for reliability assessment.

Data source

Reference
Reference Type:
other: software
Title:
Level III Fugacity model (EPIWEB v 4.11)
Author:
U.S. Environmental Protection Agency
Year:
2009
Bibliographic source:
US EPA. [2009]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
The fugacity for the uncharged molecule was determined using EQC Level III model as found in EPIWIN v3.20. Degradation in air, water, soil and sediment was determined from the BIOWIN (ultimate) and the AOPWIN program. An experimentally determined octanol-water partition coefficient was ententered. All other physical parameters used were the default values found in EPIWIN. Equal emission to air, water and soil was assumed.
Media:
other: no details given.

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Percent distribution in media

Air (%):
1.57
Water (%):
41
Soil (%):
57.3
Sediment (%):
0.089

Any other information on results incl. tables

Level III Fugacity Model:

Mass Amount   Half-Life          Emissions

(percent)             (hr)                   (kg/hr)

Air                   1.57                     11.7                    1000

Water                41                      360                    1000

Soil                  57.3                    720                    1000

Sediment       0.0891               3.24e+003                 0

Persistence Time: 352 hr

Applicant's summary and conclusion

Conclusions:
Level III Fugacity Model (Full-Output):
SMILES : CN
CHEM :
MOL FOR: C1 H5 N1
MOL WT : 31.06
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): -0.71

Level III Fugacity Model:
Mass Amount   Half-Life          Emissions
(percent)             (hr)                   (kg/hr)
Air                   1.57                     11.7                    1000
Water                41                      360                    1000
Soil                  57.3                    720                    1000
Sediment       0.0891               3.24e+003                 0

Persistence Time: 352 hr

Executive summary:

According to a calculation which is based on Mackay level III, monomethylamine will distribute into air, water, soil, and sediment to different percentages; 1.57 %, 41 % 57.3 %, and 0.009 %, respectively.