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Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption
Remarks:
adsorption/desorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Regulatory accepted QSAR method for organic chemicals properties assessment.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2009

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR method
Principles of method if other than guideline:
Study type: QSARs model KOCWIN v.2.00
estimate from MCI and from log Kow KOCWIN v.2.00
GLP compliance:
no
Remarks:
not applicable to QSAR models
Type of method:
other: QSAR method
Media:
other: QSAR method

Test material

Constituent 1
Reference substance name:
data for components
IUPAC Name:
data for components
Details on test material:
data for components

Results and discussion

Any other information on results incl. tables

Overview of studies on adsorption/desorption ofDiesel Fuelcomponents

Method

 

Results

Remarks

Reference

Study type: QSARs model

KOCWIN v.2.00

 

estimate from MCI and

from log Kow

KOCWIN v.2.00

Adsorption coefficient:

 

 

2 (reliable with

restrictions)

 

key study

 

(Q)SAR

EPI Suite

v.4.00

Hexane, C6H14

 

Koc =131.5 L/kg; log Koc=2.119 (Estimate from MCI)

 

Koc =2423 L/kg; log Koc =3.384

(Estimate from log Kow)

 

Heptane, C7H16

 

Koc =239.7 L/kg; log Koc=2.379 (Estimate from MCI)

 

Koc =11070 L/kg; log Koc =4.044

(Estimate from log Kow)

 

Octane, C8H18

 

Koc =436.8 L/kg; log Koc=2.64 (Estimate from MCI)

 

Koc =3.128 x 104L/kg; log Koc =4.495

(Estimate from log Kow)

 

Nonane, C9H20

 

Koc =796 L/kg; log Koc=2.901 (Estimate from MCI)

 

Koc =8.003 x 104L/kg; log Koc =4.903

(Estimate from log Kow)

 

Decane, C10H22

 

Koc =1451 L/kg; log Koc=3.422 (Estimate from MCI)

 

Koc =9.58 x 104L/kg; log Koc =4.981

(Estimate from log Kow)

 

Hendecane, C11H24

 

Koc =2644 L/kg; log Koc=2.901 (Estimate from MCI)

 

Koc =8.003 x 104L/kg; log Koc =4.903

(Estimate from log Kow)

 

Dodecane, C12H26

 

Koc =4818 L/kg; log Koc=3.683 (Estimate from MCI)

 

Koc =1.967 x 105L/kg; log Koc =5.294

(Estimate from log Kow)

 

Tridecane, C13H28

 

Koc =8781 L/kg; log Koc=3.943 (Estimate from MCI)

 

Koc =6.927 x 105L/kg; log Koc =5.841

(Estimate from log Kow)

 

Tetradecane, C14H30

 

Koc =16000 L/kg; log Koc=4.204 (Estimate from MCI)

 

Koc =1.772 x 106L/kg; log Koc =6.248

(Estimate from log Kow)

 

Pentadecane, C15H32

 

Koc =2.92 x 104L/kg; log Koc=4.46 (Estimate from MCI)

 

Koc =4.91 x 106L/kg; log Koc =6.69

(Estimate from log Kow)

 

Hexadecane, C16H34

 

Koc =5.32 x 104L/kg; log Koc=4.73 (Estimate from MCI)

 

Koc =1.31 x 107L/kg; log Koc =7.12

(Estimate from log Kow)

 

Heptadecane, C17H36

 

Koc =9.69 x 104L/kg; log Koc=4.99 (Estimate from MCI)

 

Koc =3.48 x 107L/kg; log Koc =7.54

(Estimate from log Kow)

 

Octadecane, C18H38

 

Koc =1.77 x 105L/kg; log Koc=5.25 (Estimate from MCI)

 

Koc =9.27 x 107L/kg; log Koc =7.97

(Estimate from log Kow)

 

Nonadecane, C19H40

 

Koc =3.22 x 105L/kg; log Koc=5.51 (Estimate from MCI)

 

Koc =2.47 x 108L/kg; log Koc =8.39

(Estimate from log Kow)

 

Eicosane, C20H42

 

Koc =5.862 x 105L/kg; log Koc=5.77 (Estimate from MCI)

 

Koc =6.56 x 108L/kg; log Koc =8.82

(Estimate from log Kow)

 

Toluene, C7H8

 

Koc =233.9 L/kg; log Koc=2.369 (Estimate from MCI)

 

Koc =233.9 L/kg; log Koc =2.369

(Estimate from log Kow)

 

Ethylbenzene, C8H10

 

Koc =446.1 L/kg; log Koc=2.649 (Estimate from MCI)

 

Koc =541.4 L/kg; log Koc =2.733

(Estimate from log Kow)

 

p-Xylene, C8H10

 

Koc =375.3 L/kg; log Koc=2.574 (Estimate from MCI)

 

Koc =541.4 L/kg; log Koc =2.733

(Estimate from log Kow)

 

o-Xylene, C8H10

 

Koc =382.9 L/kg; log Koc=2.583 (Estimate from MCI)

 

Koc =509.9 L/kg; log Koc =2.707

(Estimate from log Kow)

 

Applicant's summary and conclusion

Conclusions:
Discussion
A cut off value for logKoc of 3 is applied for adsorption potential of non-ionising substances (section R7a of the ECHA Guidance on information requirements). Paraffin Diesel Fuel components have estimated log Koc > 3. These values indicate that Diesel Fuel components are likely to be adsorbed onto soil and sediment and are not likely to leach to the ground water.