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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:
(±)-2-(6-methoxy-2-naphthyl)propionic acid
EC Number:
247-485-7
EC Name:
(±)-2-(6-methoxy-2-naphthyl)propionic acid
Cas Number:
26159-31-9
Molecular formula:
C14H14O3
IUPAC Name:
2-(6-methoxynaphthalen-2-yl)propanoic acid

Results and discussion

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name :

Molecular Wt: 230.27

Henry's LC : 3.39e-010 atm-m3/mole (Henrywin program)

Vapor Press : 1.27e-006 mm Hg (Mpbpwin program)

Liquid VP : 1.65e-005 mm Hg (super-cooled)

Melting Pt : 138 deg C (Mpbpwin program)

Log Kow : 3.18 (Kowwin program)

Soil Koc : 335 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00614 2.22 1000

Water 17.3 360 1000

Soil 82.4 720 1000

Sediment 0.246 3.24e+003 0

Fugacity Reaction Advection Reaction Advection

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

Air 1.4e-013 43.6 1.4 1.45 0.0465

Water 2.89e-015 757 393 25.2 13.1

Soil 1.84e-014 1.8e+003 0 60.1 0

Sediment 2.28e-015 1.2 0.112 0.0399 0.00373

Persistence Time: 758 hr

Reaction Time: 872 hr

Advection Time: 5.76e+003 hr

Percent Reacted: 86.8

Percent Advected: 13.2

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

Air: 2.219

Water: 360

Soil: 720

Sediment: 3240

Biowin estimate: 2.922 (weeks )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion