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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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

Constituent 1
Chemical structure
Reference substance name:
Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:2)
EC Number:
259-226-5
EC Name:
Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:2)
Cas Number:
54553-91-2
Molecular formula:
C10H6O8.2C9H10N2
IUPAC Name:
benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:2)

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