2-phenyl-2-imidazoline

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:

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:

2 008

Media:

other: air-water-soil-sediment

Test material

Test material information

Constituent 1

Reference substance name:

2-phenyl-2-imidazoline

EC Number:

213-313-4

EC Name:

2-phenyl-2-imidazoline

Cas Number:

936-49-2

Molecular formula:

C9H10N2

IUPAC Name:

2-phenyl-4,5-dihydro-1H-imidazole

Results and discussion

Percent distribution in media

Air (%):

0.223

Water (%):

21.9

Soil (%):

77.1

Sediment (%):

0.811

Any other information on results incl. tables

LevelIIIFugacity Model (Full-Output):

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

 Chem Name  : 1H-Imidazole, 4,5-dihydro-2-phenyl-

 Molecular Wt: 146.19

 Henry's LC : 3.9e-008 atm-m3/mole (Henrywin program)

 Vapor Press : 3.4e-005 mm Hg (Mpbpwin program)

 Liquid VP  : 0.00023 mm Hg (super-cooled)

 Melting Pt : 109 deg C (Mpbpwin program)

 Log Kow    : 2.45 (Kowwin program)

 Soil Koc   : 1.06e+003 (KOCWIN MCI method)

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      0.223          3.43        1000      

  Water    21.9           360         1000      

  Soil     77.1           720         1000      

  Sediment 0.811          3.24e+003   0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      6e-012      729        36.1       24.3       1.2      

  Water    4.71e-013   680        353        22.7       11.8     

  Soil     7.19e-013   1.2e+003   0          40         0        

  Sediment 3.31e-013   2.8        0.262      0.0934     0.00874  

 

  Persistence Time: 538 hr

  Reaction Time:   619 hr

  Advection Time:  4.15e+003 hr

  Percent Reacted: 87

  Percent Advected: 13

 

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

     Air:     3.43

     Water:   360

     Soil:    720

     Sediment: 3240

       Biowin estimate: 2.898 (weeks      )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004