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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:
accepted calculation method
Justification for type of information:
The fugacity model estimates the partitioning of organic substances between the compartments air, soil, water and sediment in the environment. The model a well-accepted calculation tool and is part of EPI Suite (US EPA 2000-2008).

Data source

Referenceopen allclose all

Reference Type:
other: QSAR method
Title:
Unnamed
Year:
2016
Report date:
2016
Reference Type:
other: Model calculations
Title:
EPI Suite : Fugacity model
Author:
US EPA
Year:
2008
Bibliographic source:
US Environmental Protection Agency

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Level III Fugacity model in EPI Suite (Copyright by US EPA 2000-2008), methodology developed by Mackay.
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
1-chlorododecane
EC Number:
203-981-5
EC Name:
1-chlorododecane
Cas Number:
112-52-7
Molecular formula:
C12H25Cl
IUPAC Name:
1-chlorododecane
Test material form:
not specified
Specific details on test material used for the study:
CAS Number: 112-52-7
SMILES : CLCCCCCCCCCCCC
MOL WT : 204.79

Study design

Test substance input data:
Chem Name : Dodecane, 1-chloro-
Molecular Wt: 204.79
Henry's LC : 0.185 atm-m3/mole (Henrywin program)
Vapor Press : 0.0159 mm Hg (Mpbpwin program)
Log Kow : 6.49 (Kowwin program)
Soil Koc : 8.78e+003 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Air (%):
9.33
Water (%):
38.4
Soil (%):
43.5
Sediment (%):
8.77

Any other information on results incl. tables

Level III Fugacity Model

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

Mass Amount       Half-Life       Emissions

(percent)            (hr)              (kg/hr)

Air                     9.33              19.1              1000

Water                 38.4              360              1000

Soil                     43.5              720              1000

Sediment              8.77              3.24e+003       0

Applicant's summary and conclusion

Conclusions:
The fugacity model Level III estimates that the substance is distributed to the water and soil compartment.

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