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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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