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:
2015
Bibliographic source:
Episuite data (Epiweb 4.11)

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 (%):
9.95
Soil (%):
82.2
Sediment (%):
7.84

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name : 1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,5-dihydro-2-phenyl-1H-imidazole

(1:1)

Molecular Wt: 400.35

Henry's LC : 3.27e-032 atm-m3/mole (Henrywin program)

Vapor Press : 3.09e-019 mm Hg (Mpbpwin program)

Liquid VP : 4.28e-016 mm Hg (super-cooled)

Melting Pt : 343 deg C (Mpbpwin program)

Log Kow : 1 (Kowwin program)

Soil Koc : 1.36e+004 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.7e-016 19 1000

Water 9.95 900 1000

Soil 82.2 1.8e+003 1000

Sediment 7.84 8.1e+003 0

Fugacity Reaction Advection Reaction Advection

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

Air 8.17e-036 1.02e-012 2.82e-013 3.42e-014 9.39e-015

Water 2.38e-037 459 596 15.3 19.9

Soil 6.83e-038 1.9e+003 0 63.2 0

Sediment 2.93e-037 40.2 9.39 1.34 0.313

Persistence Time: 2e+003 hr

Reaction Time: 2.5e+003 hr

Advection Time: 9.9e+003 hr

Percent Reacted: 79.8

Percent Advected: 20.2

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

Air: 19.05

Water: 900

Soil: 1800

Sediment: 8100

Biowin estimate: 2.600 (weeks-months)

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion