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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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