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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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

Constituent 1
Chemical structure
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.