Benzene, C10-13-alkyl derivs.

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

13 Sep 2010

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

EPI Suite v4.00

Media:

other: air-water-soil-sediment

Test material

Test material information

Constituent 1

Reference substance name:

Dodecylbenzene

EC Number:

204-591-8

EC Name:

Dodecylbenzene

Cas Number:

123-01-3

Molecular formula:

C18H30

IUPAC Name:

4-[dodecan-(2 to 6)-yl] benzene

Constituent 2

Reference substance name:

Benzene, dodecyl-

IUPAC Name:

Benzene, dodecyl-

Study design

Test substance input data:

- MOL WT : 246.44
- Log Kow (octanol-water): 6.90
- Boiling Point (deg C) : 279.00
- Melting Point (deg C) : -39.00
- Vapor Pressure (mm Hg) : 0.00975
- Water Solubility (mg/L): 0.41

Results and discussion

Percent distribution in media

Air (%):

1.08

Water (%):

10.4

Soil (%):

55.1

Sediment (%):

33.4

Any other information on results incl. tables

Level III Fugacity Model:

Mass Amount   Half-Life   Emissions

(percent)      (hr)       (kg/hr)

Air       1.08           12.8       1000

Water     10.4            360          1000

Soil      55.1            720          1000

Sediment  33.4            3.24e+003   0

Persistence Time: 624 hr

Applicant's summary and conclusion

Conclusions:

Distribution results are 1.08% to air, 10.4% to water, 55.1% to soil, and 33.4% to sediment.

Executive summary:

Fugacity modeling was done on dodecylbenzene, a component of the substance, using a Level III Mackay model. Distribution results are 1.08% to air, 10.4% to water, 55.1% to soil, and 33.4% to sediment.