2-nitropropane

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:

2003

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Not GLP, accepted calculation method

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2003

Materials and methods

Model:

other: EPIWIN fugacity Level III Model Program

Calculation programme:

Prediction of Equilibrium Environmental Distribution

Release year:

1 999

Media:

other: air-water-soil-sediment

Test material

Test material information

Constituent 1

Reference substance name:

2-nitropropane

EC Number:

201-209-1

EC Name:

2-nitropropane

Cas Number:

79-46-9

Molecular formula:

C3H7NO2

IUPAC Name:

2-nitropropane

Details on test material:

No data

Study design

Test substance input data:

See below

Environmental properties:

See below

Results and discussion

Percent distribution in media

Air (%):

70.5

Water (%):

29

Soil (%):

0.6

Other distribution results:

Level I: Predicted equilibrium distribution among air, water, soil, and sediments

Emission Scenario: 100,000 kg total emissions
Percentage and amount distributed to
Air Water Soil Sediment

70.5% 29.0% 0.6% <0.1%
7.0 x 10^4 kg 2.9 x 10^4 kg 5.7 x 10^2 kg 13 kg

This substance has high water solubility, moderate vapor pressure, and low log Kow. In the absence of advective and reactive processes, these physical properties dictate that the substance will be distributed primarily among the air and water compartments at equilibrium. The substance has a low potential for adsorption to soil or sediments, and moderate potential to volatilize from water.

Level III: Predicted distribution among air, water, soil, and sediments

Emission Scenario
Percentage and amount distributed

1,000 kg/hr to Air (most likely scenario)
Air 91.8%
2.0 x 10^3 kg
Water 5.0%
1.1 x 10^2 kg
Soil 3.2%
70 kg
Sediment <0.1%
<1 kg
Residence Time (days) 0.1 (without advection=98)

1,000 kg/hr to Water
Air 0.2%
8.1 x 10^2 kg
Water 99.8%
5.0 x 10^5 kg
Soil <0.1%
29 kg
Sediment <0.1%
2.4 x 10^2 kg
Residence Time (days) 21 (without advection=216)


1,000 kg/hr to Soil
Air 0.3%
1.6 x 103 kg
Water 32.2%
1.5 x 105 kg
Soil 67.5%
3.2 x 105 kg
Sediment <0.1%
76 kg
Residence Time (days) 20 (without advection=325)


1,000 kg/hr simultaneously to Air, Water, and Soil Air 0.4%
4.4 x 103 kg
Water 66.6%
6.5 x 105 kg
Soil 32.9%
3.2 x 105 kg
Sediment <0.1%
3.2 x 102 kg
Residence Time (days) 14 (without advection=257)

Any other information on results incl. tables

None

Applicant's summary and conclusion

Conclusions:

This substance has high water solubility, moderate vapor pressure, and low log Kow. The substance therefore has a low potential for adsorption to soil or sediments, and moderate potential to volatilize from water or soil to the atmosphere. If released to air (the most probable emission route), 2-nitropropane will remain primarily in the atmospheric compartment, with some deposition to surface water and soil. 2-Nitropropane is slowly reacted in the atmosphere, and therefore advection is the dominant process affecting atmospheric fate. If released directly to water, the substance will remain dissolved in water; 2-nitropropane may undergo limited biodegradation under some conditions. If released to soil, 2-nitropropane will be primarily dissolved in soil pore water (groundwater); 2-nitropropane may undergo limited biodegradation under some conditions

Executive summary:

None