1-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:

2005

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Non GLP, acceptable 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:

2005

Materials and methods

Model:

other: EPIWIN fugacity Level I and III Model Program

Calculation programme:

EPIWIN fugacity Level I and III Model Program

Release year:

1 999

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

1-nitropropane

EC Number:

203-544-9

EC Name:

1-nitropropane

Cas Number:

108-03-2

Molecular formula:

C3H7NO2

IUPAC Name:

1-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 (%):

61.9

Water (%):

37.9

Soil (%):

0.2

Biota (%):

0.1

Other distribution results:

Air : 61.9 % (Fugacity Model Level I)
Water : 37.9 % (Fugacity Model Level I)
Soil : .2 % (Fugacity Model Level I)
Biota : .1 % (Fugacity Model Level II/III)
Soil : 4.1 % (Fugacity Model Level II/III)
Sediment <0.1% (Fugacity Model Level I)

Any other information on results incl. tables

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

        61.9%           37.9%             0.2%              0.1%
    6.2 x 10^4 kg  3.8 x 10^4 kg  2.5 x 10^2 kg               5.5 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    88.7%       
       2.0 x 10^3 kg
Water  7.3%
       1.6 x 10^2 kg
Soil   4.1%   
       91 kg
Sediment 0.1%
        1 kg             
Residence Time (days)  0.1  (without advection=40)

1,000 kg/hr to Water          
Air     0.1%
        6.8 x 10^2 kg
Water   99.8%
        5.5 x 10^5 kg
Soil    0.1%
        31 kg
Sediment 0.1%
        2.4 x 10^2 kg
Residence Time (days)  23  (without advection=215)

               
               
1,000 kg/hr to Soil              
Air    0.3%
       1.4 x 10^3 kg
Water  42.4%
       2.2 x 10^5 kg
Soil   57.3%
       2.9 x 10^5 kg
Sediment 0.1%
       92 kg              
Residence Time (days) 21  (without advection=298)


1,000 kg/hr simultaneously to Air, Water, and Soil     
Air    0.4%
       4.1 x 10^3 kg
Water  72.3%
       7.7 x 10^5 kg
Soil   27.3%
       2.9 x 10^5 kg
Sediment 0.1%
       3.3 x 10^2 kg
Residence Time (days) 15  (without advection=245)

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), 1-nitropropane will remain primarily in the atmospheric compartment, with some deposition to surface water and soil. Since 1-Nitropropane is slowly reacted in the atmosphere, advection is expected to be the dominant process affecting atmospheric fate. If released directly to water, the substance will remain dissolved in water and is expected to be biodegraded. If released to soil, 1-nitropropane will be primarily dissolved in soil pore water (groundwater), and is expected to be biodegraded.

Executive summary:

None