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EC number: 940-786-0 | CAS number: -
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- Oct. 23, 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable calculation method.
Data source
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v4.11
- Media:
- other: air-water-soil-sediment
Test material
- Reference substance name:
- Benzene, C15-16-alkyl derivs.
- EC Number:
- 940-786-0
- Molecular formula:
- C21H36 and C22H38
- IUPAC Name:
- Benzene, C15-16-alkyl derivs.
Constituent 1
Study design
- Test substance input data:
- Chem Name : BENZENE, C15-16-ALKYL DERIVS.
Molecular Wt: 288.52
Henry's LC : 74.5 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.0375 mm Hg (user-entered)
Log Kow : 9.34 (user-entered)
Soil Koc : 9.8e+005 (KOCWIN MCI method)
Results and discussion
Percent distribution in media
- Air (%):
- 1.1
- Water (%):
- 24.7
- Soil (%):
- 67.8
- Sediment (%):
- 6.4
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.1 10.7 1000
Water 24.7 360 1000
Soil 67.8 720 1000
Sediment 6.4 3.24e+003 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 2.19e-011 1.68e+003 259 55.9 8.62
Water 3.84e-006 640 332 21.3 11.1
Soil 4.39e-008 71.1 0 2.37 0
Sediment 2.36e-006 18.4 1.72 0.614 0.0574
Persistence Time: 173 hr
Reaction Time: 215 hr
Advection Time: 874 hr
Percent Reacted: 80.2
Percent Advected: 19.8
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 10.68
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 2.807 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- Distribution results are 1.1% to air, 24.7% to water, 67.8% to soil, and 6.4% to sediment.
- Executive summary:
Fugacity modeling was done on Benzene, C15-16-alkly derivs., using a Level III Mackay model. Distribution results are 1.1% to air, 24.7% to water, 67.8% to soil, and 6.4% to sediment.
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