Oils, lard, sulfated, ammonium salts

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Study period:

2013

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Estimation method using accepted calculation method.

Data source

Reference

Reference Type:

other: software

Title:

Unnamed

Year:

2013

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

EPI Suite v4.11

Release year:

2 011

Media:

other: air - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

68187-91-7

Cas Number:

68187-91-7

IUPAC Name:

68187-91-7

Details on test material:

SMILES: CCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC(S(=O)(=O)ON(H)(H)(H)(H))CCCCCCCCC

Results and discussion

Percent distribution in media

Air (%):

0.02

Water (%):

17.6

Soil (%):

82.4

Sediment (%):

0

Any other information on results incl. tables

------------- Level III Fugacity Model (Full-Output) -------------

Compound Being Estimated:

Chem Name  : Oils, fish, sulfated, ammonium salts

Molecular Wt: 954.5

Henry's LC : 4.48e-019 atm-m3/mole (Henrywin program)

Vapor Press : 3.99e-027 mm Hg (Mpbpwin program)

Liquid VP  : 6.51e-024 mm Hg (super-cooled)

Melting Pt : 350 deg C (Mpbpwin program)

Log Kow    : 19.7 (Kowwin program)

Soil Koc   : 1e+010 (KOCWIN MCI method)

 

Mass Amount   Half-Life   Emissions

(percent)       (hr)      (kg/hr)

Air      0.0216         0.496       1000

Water    17.6           900         1000

Soil     82.4           1.8e+003    1000

Sediment 3.92e-006      8.1e+003    0

 

Fugacity   Reaction   Advection  Reaction   Advection

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

Air      1.29e-030   972        6.95       32.4       0.232

Water    4.95e-037   436        566        14.5       18.9

Soil     2.87e-031   1.02e+003  0          34         0

Sediment 6.16e-037   1.08e-005  2.52e-006  3.59e-007  8.4e-008

 

Persistence Time: 1.07e+003 hr

Reaction Time:   1.32e+003 hr

Advection Time:  5.6e+003 hr

Percent Reacted: 80.9

Percent Advected: 19.1

 

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

Air:     0.4958

Water:   900

Soil:    1800

Sediment: 8100

Biowin estimate: 2.406 (weeks-months)

 

Advection Times (hr):

Air:     100

Water:   1000

Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:

Distribution in environmental compartments has been calculated using a Fugacity model according to Mackay, Level III. Soil and water were found to be the major target compartments.

Executive summary:

Distribution in environmental compartments of an analogue of the substance (oils, fish, sulfated, ammonium salt) has been calculated using a Fugacity model according to Mackay, Level III, the substance itself not being recognised by teh software used. Soil and water were found to be the major target compartments.