Registration Dossier
Registration Dossier
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EC number: 204-331-3 | CAS number: 119-53-9
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:
- 2 010
- Bibliographic source:
- Episuite data (Epiweb 4.0)
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- Epiweb 4.0
- Release year:
- 2 008
- Media:
- other: air-water-soil-sediment
Test material
- Reference substance name:
- Benzoin
- EC Number:
- 204-331-3
- EC Name:
- Benzoin
- Cas Number:
- 119-53-9
- Molecular formula:
- C14H12O2
- IUPAC Name:
- 2-hydroxy-1,2-diphenylethanone
Constituent 1
Results and discussion
Any other information on results incl. tables
LevelIIIFugacity Model (Full-Output):
=======================================
Chem Name : Ethanone, 2-hydroxy-1,2-diphenyl-
Molecular Wt: 212.25
Henry's LC : 1.24e-007 atm-m3/mole (Henrywin program)
Vapor Press : 5.77e-007 mm Hg (Mpbpwin program)
Liquid VP : 3.7e-006 mm Hg (super-cooled)
Melting Pt : 107 deg C (Mpbpwin program)
Log Kow : 2.13 (Kowwin program)
Soil Koc : 163 (KOCWIN MCI method)
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.931 22.1 1000
Water 22.7 360 1000
Soil 76.2 720 1000
Sediment 0.186 3.24e+003 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 1.45e-011 492 157 16.4 5.22
Water 1.11e-012 734 381 24.5 12.7
Soil 9.88e-012 1.24e+003 0 41.2 0
Sediment 9.3e-013 0.669 0.0626 0.0223 0.00209
Persistence Time: 561 hr
Reaction Time: 684 hr
Advection Time: 3.13e+003 hr
Percent Reacted: 82.1
Percent Advected: 17.9
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 22.06
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 2.912 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
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