Naphtha (Fischer-Tropsch), light, C4-10-branched and linear

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2010

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Remarks:

This robust summary was given, a reliability rating of 2, because the data are not measured values for the product listed, but are calculated for representative constituents (C4, C7 and C10).

Data source

Reference

Reference Type:

other: software application

Title:

US EPA . Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10 . United States Environmental Protection Agency, Washington, DC, USA ; HenryWin v3.20 [2011]

Author:

U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460

Year:

2012

Bibliographic source:

http://www.epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

EpiSuite

Media:

other: Soil - Air - Water - Sediment

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

481-730-0

EC Name:

-

Cas Number:

848301-65-5

Molecular formula:

main general molecular formula: CnH(2n+2)

IUPAC Name:

C4-C10 branched and linear hydrocarbons (light) – Naphtha

Study design

Test substance input data:

"Naphtha (Fischer-Tropsch), light, C4-10 - branched and linear" consists predominantly of branched and linear aliphatic hydrocarbons having carbon numbers in the range of C4 to C10, therefore the hydrocarbons C4, C7 and C10 were used for the calculation.

Results and discussion

Any other information on results incl. tables

Table 1 Distribution of C6, C7 and C8 by QSAR prediction

	Hexane (C4)	Heptane (C7)	Decane (C10)
Air (%)	48.4	34.9	29.6
Water (%)	50.6	63.4	69.1
Soil (%)	0.804	1.19	1.73
Sediment (%)	0.159	0.553	2.27

Applicant's summary and conclusion

Conclusions:

The distribution of the substance in the environmental compartments, air, water, soil, and sediment, has been calculated using the level III fugacity model, included in EPI Suite model, version 3.12 program. An overall range of the distribution of the respective, linear hydrocarbons (C4, C7 and C10) is between 29.6 - 48.8 % to air, 50.6 - 69.1 % to water, while partitioning into soil or sediment does not exceed 1.73 % or 2.27 %, respectively.

Executive summary:

The distribution of the UVCB "Naphtha (Fischer Tropsch), light, C4 -C10 - linear and branched" in the environmental compartments, air, water, soil, and sediment, has been estimated by calculating the distribution of the respective hydrocarbons by using the level III fugacity model, included in EPI Suite model. Computer modeling is an accepted method for estimating the environmental distribution of chemicals. An overall range of the distribution of the respective, (C4, C7 and C10) is between 29.6 - 48.8 % to air, 50.6 - 69.1 % to water, while partitioning into soil or sediment does not exceed 1.73 % or 2.27 %, respectively.