Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Title:
No information
Author:
Anonymous
Year:
2016
Bibliographic source:
Episuite data (Epiweb 4.1)

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Epiweb 4.11
Release year:
2 012
Media:
other: air-water-soil-sediment

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
4.79
Soil (%):
66.1
Sediment (%):
29.1

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name :

Molecular Wt: 546.54

Henry's LC : 1.21e-036 atm-m3/mole (Henrywin program)

Vapor Press : 3.63e-026 mm Hg (Mpbpwin program)

Liquid VP : 5.92e-023 mm Hg (super-cooled)

Melting Pt : 350 deg C (Mpbpwin program)

Log Kow : 6.45 (Kowwin program)

Soil Koc : 9.8e+004 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.31e-014 10.3 1000

Water 4.79 1.44e+003 1000

Soil 66.1 2.88e+003 1000

Sediment 29.1 1.3e+004 0

Fugacity Reaction Advection Reaction Advection

(atm) (kg/hr) (kg/hr) (percent) (percent)

Air 2.21e-040 5.05e-010 7.52e-011 1.68e-011 2.51e-012

Water 4.91e-042 275 571 9.17 19

Soil 4.13e-043 1.9e+003 0 63.3 0

Sediment 8.17e-042 186 69.5 6.19 2.32

Persistence Time: 3.98e+003 hr

Reaction Time: 5.06e+003 hr

Advection Time: 1.86e+004 hr

Percent Reacted: 78.6

Percent Advected: 21.4

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

Air: 10.33

Water: 1440

Soil: 2880

Sediment: 1.296e+004

Biowin estimate: 2.211 (months )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion