Registration Dossier
Registration Dossier
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EC number: 247-485-7 | CAS number: 26159-31-9
Distribution modelling
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:
- 2 013
- 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
- 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
Constituent 1
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
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