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EC number: 231-104-6 | CAS number: 7439-95-4
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: US EPA accepted QSAR method for chemicals properties assessment. Recognised method of fugacity calculations.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- EPI Suite v 4.1/Level III Fugacity Model
- Author:
- US EPA
- Year:
- 2 011
- Bibliographic source:
- http://epa.gov/oppt/exposure/pubs/episuite.htm
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v 4.1/Level III Fugacity Model
- Release year:
- 2 011
- Media:
- other: all
Test material
- Reference substance name:
- Magnesium
- EC Number:
- 231-104-6
- EC Name:
- Magnesium
- Cas Number:
- 7439-95-4
- Molecular formula:
- Mg
- IUPAC Name:
- magnesium
- Test material form:
- solid: compact
- Details on test material:
- SMILES : [Mg]
EC Name: MAGNESIUM
CAS Name: MAGNESIUM
Molecular Formula: Mg
MOL WT : 24.3039
Constituent 1
Study design
- Test substance input data:
- - Parameters as per physicochemical summary data.
- Reaction half-life estimates for:
- Air: 100000 hr (from AOPWIN)
- Water: 360 hr (Based on Biowin)
- Soil: 720 hr
- Sediment: 3240 hr
Assumed emissions: Four simulations as per results below - Environmental properties:
- - Environmental compartment sizes and character as per the TGD
Results and discussion
Percent distribution in media
- Air (%):
- 36.6
- Water (%):
- 53.8
- Soil (%):
- 9.45
- Sediment (%):
- 0.128
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0
- Other distribution results:
- The figures above represent the first emission scenario shown below
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : MAGNESIUM
Molecular Wt: 26.32
Henry's LC : 0.0245 atm-m3/mole (Henrywin program)
Vapor Press : 2.95e-031 mm Hg (Mpbpwin program)
Liquid VP : 1.22e-029 mm Hg (super-cooled)
Melting Pt : 189 deg C (Mpbpwin program)
Log Kow : -0.57 (Kowwin program)
Soil Koc : 13.2 (KOCWIN MCI method)
TABLE 1
|
Mass Amount (percent) |
Half-Life (hr) |
Emissions
(kg/hr) |
Air |
36.6 |
1e+005 |
1000
|
Water |
53.8 |
360 |
1000
|
Soil |
9.45 |
720 |
1000
|
Sediment |
0.128 |
3.24e+003 |
0 |
TABLE 2A
|
Fugacity atm) |
Reaction (kg/hr) |
Advection (kg/hr) |
Reaction (percent) |
Advection (percent) |
Air |
2.6e-032 |
1.43 |
2.06e+003 |
0.0476 |
68.7 |
Water |
1.41e-006 |
583 |
303 |
19.4 |
10.1
|
Soil |
3.36e-006 |
51.2 |
0 |
1.71 |
0 |
Sediment |
1.28e-006 |
0.155 |
0.0144 |
0.00515 |
0.000482 |
Persistence Time: 188 hr
Reaction Time: 886 hr
Advection Time: 238 hr
Percent Reacted: 21.2
Percent Advected: 78.8
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 1e+005
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.141 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- The concentrations in water and sediment are effectively independent of the compartment into which the emissions occur. Concentrations in air and soil depend on what compartment emissions occured to and are quite variable. Only emissions to air contribute to atmospheric concentrations whilst deposition in soil comes approximately 50/50 from direct emissions to soil and indirectly from emissions to air.
- Executive summary:
Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using inflow parameters which are consistent with the known production tonnage of this substance in, fugacity coefficient indicates that environmental concentrations in water are predicted to be 1.41e-006 (atm), in air (atm) 2.6e-032 and soil 3.36e-006 (atm) and sediment to be 1.28e-006 (atm).
These are negligible low levels. This can be considered a worse case prediction as it assumes all product is emitted with no emission control systems used.
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