Registration Dossier

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:
2013
Bibliographic source:
Episuite data (Epiweb 4.1)

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Epiweb 4.1
Release year:
2 012
Media:
other: air-water-soil-sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
1-fluoro-4-nitrobenzene
EC Number:
206-502-8
EC Name:
1-fluoro-4-nitrobenzene
Cas Number:
350-46-9
Molecular formula:
C6H4FNO2
IUPAC Name:
1-fluoro-4-nitrobenzene

Results and discussion

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name : Benzene, 1-fluoro-4-nitro-

Molecular Wt: 141.1

Henry's LC : 0.000125 atm-m3/mole (Henrywin program)

Vapor Press : 0.281 mm Hg (Mpbpwin program)

Liquid VP : 0.283 mm Hg (super-cooled)

Melting Pt : 25.4 deg C (Mpbpwin program)

Log Kow : 1.8 (Kowwin program)

Soil Koc : 363 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.96 841 1000

Water 15.7 900 1000

Soil 79 1.8e+003 1000

Sediment 0.319 8.1e+003 0

Fugacity Reaction Advection Reaction Advection

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

Air 2.3e-010 110 1.33e+003 3.65 44.3

Water 1.87e-009 324 421 10.8 14

Soil 1.16e-008 815 0 27.2 0

Sediment 1.95e-009 0.731 0.171 0.0244 0.0057

Persistence Time: 893 hr

Reaction Time: 2.14e+003 hr

Advection Time: 1.53e+003 hr

Percent Reacted: 41.7

Percent Advected: 58.3

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

Air: 841

Water: 900

Soil: 1800

Sediment: 8100

Biowin estimate: 2.311 (weeks-months)

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion

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