Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Study period:
22-November 2009
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data were generated using a recognized computer model program.

Data source

Reference
Reference Type:
other: Computer model program output
Title:
EPIWIN STP Fugacity Model, Level III
Author:
US EPA
Year:
2009

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPIWIN STP Fugacity Model, Level III
Release year:
2 008
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
No details. Test material information inputted to model program was the SMILES code: c2cc(OC)ccc2C(c1ccccc1)=C(C(#N))C(=O)OCC(CC)CCCC

Study design

Test substance input data:
- Molar mass: 391.51
- Data temperature: 25 deg C
- Water solubility: 0.0391 mg/l
- Vapour pressure: 0.00266645 Pa
- Soil Koc 2.12e+005
- log Pow: 6.2
- Melting point: 2 Deg C
- Reaction half-life estimates for
- Air: 4.965 hr
- Water: 900 hr
- Soil: 1800 hr
- Sediment: 8100
- Biowin estimate: 2.654 (weeks-months)

Results and discussion

Percent distribution in media

Air (%):
0.15
Water (%):
5.09
Soil (%):
48.6
Sediment (%):
46.1
Other distribution results:
STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility
======================================================================
(using 10000 hr Bio P,A,S)
PROPERTIES OF:
-------------
Henry 's law constant (Atm-m3/mol) 0.0002635
Air-water partition coefficient 0.0107764
Octanol-water partition coefficient (Kow) 1.58489E+006
Log Kow 6.2
Biomass to water partition coefficient 316979
Temperature [deg C] 25
Biodeg rate constants (h^-1),half life in biomass (h) and in 2000 mg/L MLSS (h):
-Primary tank 0.00 9984.25 10000.00
-Aeration tank 0.00 9984.25 10000.00
-Settling tank 0.00 9984.25 10000.00

STP Overall Chemical Mass Balance:
---------------------------------
g/h mol/h percent

Influent 1.00E+001 2.6E-002 100.00

Primary sludge 5.90E+000 1.5E-002 58.96
Waste sludge 3.30E+000 8.4E-003 32.98
Primary volatilization 1.07E-003 2.7E-006 0.01
Settling volatilization 2.38E-003 6.1E-006 0.02
Aeration off gas 1.22E-002 3.1E-005 0.12

Primary biodegradation 1.73E-002 4.4E-005 0.17
Settling biodegradation 4.21E-003 1.1E-005 0.04
Aeration biodegradation 5.55E-002 1.4E-004 0.56

Final water effluent 7.13E-001 1.8E-003 7.13

Total removal 9.29E+000 2.4E-002 92.87
Total biodegradation 7.70E-002 2.0E-004 0.77

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

Chem Name  : Ethyl hexyl methoxycrylene

Molecular Wt: 391.51

Henry's LC : 0.000264 atm-m3/mole (calc VP/Wsol)

Vapor Press : 2e-005 mm Hg (user-entered)

Log Kow    : 6.2 (user-entered)

Soil Koc   : 2.12e+005 (KOCWIN MCI method)

Mass Amount   Half-Life   Emissions

(percent)       (hr)      (kg/hr)

Air      0.154          4.97        1000

Water    5.09           900         1000

Soil     48.6           1.8e+003    1000

Sediment 46.1           8.1e+003    0

Fugacity   Reaction   Advection  Reaction   Advection

(atm)     (kg/hr)     (kg/hr)   (percent)  (percent)

Air      4.96e-012   1.16e+003  83.1       38.7       2.77

Water    6.61e-010   211        275        7.05       9.15

Soil     1.93e-011   1.01e+003  0          33.6       0

Sediment 8.22e-010   213        49.7       7.09       1.66

Persistence Time: 1.8e+003 hr

Reaction Time:   2.08e+003 hr

Advection Time:  1.32e+004 hr

Percent Reacted: 86.4

Percent Advected: 13.6

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

Air:     4.965

Water:   900

Soil:    1800

Sediment: 8100

Biowin estimate: 2.654 (weeks-months)

Advection Times (hr):

Air:     100

Water:   1000

Sediment: 5e+004

....

Applicant's summary and conclusion