Registration Dossier

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:
2010
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

Constituent 1
Chemical structure
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

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