Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: US EPA 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

Model:
calculation according to Mackay, Level III
Calculation programme:
A level III fugacity model
Release year:
2 009
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
Mineral Paraffin Oil is a complex UVCB substance. Data for components.

Results and discussion

Any other information on results incl. tables

Overview of distribution modelling data on Mineral Paraffin Oil components

Method

 

Components

Results: percent distribution in media:

Remarks

Reference

Media: air-water-soil sediment

 

Calculation according to

Mackay, Level III

 

Calculation programme:

level III fugacity model

(EPI Suite v.4.00)

Pentadecane, C15H32(CAS No. 629-62-9)

 

Air (%): 11.1

Water (%): 72.4

Soil (%): 5.61

Sediment (%): 10.9

2 (reliable with

restrictions)

 

key study

 

(Q)SAR

US EPA

(EPI Suite

v.4.00)

Hexadecane, C16H34(CAS No. 544-76-3)

 

Air (%): 3.46

Water (%): 37.5

Soil (%): 55

Sediment (%):4.08

Heptadecane, C17H36(CAS No. 629-78-7)

 

Air (%): 10.4

Water (%): 78.4

Soil (%): 5.72

Sediment (%): 5.44

Octadecane, C18H38(CAS No. 593-45-3)

 

Air (%): 6.9

Water (%): 82.2

Soil (%): 5.34

Sediment (%):5.58

Nonadecane, C19H40(CAS No. 629-92-5)

 

Air (%): 6.5

Water (%): 83

Soil (%): 7.11

Sediment (%): 3.36

Eicosane, C20H42

CAS No. 112-95-8

Air (%): 6.09

Water (%): 82.5

Soil (%): 9.4

Sediment (%): 1.97

Henicosane, C21H44

CAS No. 629-94-7

Air (%): 5.64

Water (%): 80.9

Soil (%): 12.3

Sediment (%): 1.14

Docosane, C22H46

CAS No. 629-97-0

Air (%): 5.16

Water (%): 78.3

Soil (%): 15.9

Sediment (%): 0.637

Tricosane, C23H48

CAS No. 638-67-5

Air (%): 4.66

Water (%): 74.8

Soil (%): 20.2

Sediment (%): 0.359

Tetracosane, C24H50 

CAS No. 646-31-1

Air (%): 4.15

Water (%): 70.4

Soil (%): 25.2

Sediment (%): 0.199

Pentacosane, C25H52 

CAS No. 629-99-2

Air (%): 3.63

Water (%): 65.5

Soil (%): 30.8

Sediment (%): 0.109

Hexacosane, C26H54 

CAS No 630-01-3

Air (%): 3.13

Water (%): 60.1

Soil (%): 36.7

Sediment (%): 0.0592

Heptacosane, C27H56 

CAS No. 593-49-7

Air (%): 2.6

Water (%): 54.1

Soil (%): 43.2

Sediment (%): 0.0314

Octacosane, C28H58 

CAS No. 630-02-4

Air (%): 2.22

Water (%): 49.3

Soil (%): 48.5

Sediment (%): 0.0169

Nonacosane, C29H60 

CAS No. 630-03-5

Air (%): 1.84

Water (%): 44.3

Soil (%): 53.8

Sediment (%): 0.0089

Triacontane, C30H62

CAS No. 638-68-6

Air (%): 1.52

Water (%): 40.1

Soil (%): 58.4

Sediment (%): 0.0048

Applicant's summary and conclusion