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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
biodegradation in water: sediment simulation testing
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Reference:
Composition 1
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Fugacity Model by EPI Suite estimation database
GLP compliance:
not specified
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (as cited in study report): 4-nitrobenzene-1,3-diamine
- Molecular formula (if other than submission substance): C6H7N3O2
- Molecular weight (if other than submission substance): 153.14 g/mol
- Smiles notation (if other than submission substance): c1(c(cc(N)cc1)N)[N+](=O)[O-]
- InChI: 1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Oxygen conditions:
other: estimation
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Compartment:
water
% Recovery:
21.1
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
0.094
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in water
Sampling time:
37.5 d
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in sediment
Sampling time:
337.5 d
Remarks on result:
other: Other details not known
Key result
Compartment:
water
Half-life:
37.5 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
Half-life:
337.5 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Transformation products:
not specified

Mass Amount

(percent)

Half-Life (hr)

Emissions (kg/hr)

Water

21.1

900

1000

Sediment

0.0941

8.1e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

1.76e-015

716

930

23.9

31

Sediment

1.72e-015

0.355

0.0831

0.0118

0.00277

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of 4-nitrobenzene-1,3-diamine in water was 37.5 days (900 h) and in sediment estimated to be 337.5 days (8100 h).
Executive summary:

Estimation Programs Interface (EPI) Suite (2017) prediction model was run to predict the half-life in water and sediment for the test compound

4 -nitrobenzene-1,3 -diamine (CAS No. 5131 -58 -8). If released in to the environment, 21.1% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4-nitrobenzene-1,3-diamine in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 4 -nitrobenzene-1,3 -diamine in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical 4 -nitrobenzene-1,3 -diamine into the sediment is less than 1% (i.e, reported as 0.0941%), indicates that 4-nitrobenzene-1,3-diamine is not persistent in sediment.

 

Description of key information

Estimation Programs Interface (EPI) Suite (2017) prediction model was run to predict the half-life in water and sediment for the test compound

4 -nitrobenzene-1,3 -diamine (CAS No. 5131 -58 -8). If released in to the environment, 21.1% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4-nitrobenzene-1,3-diamine in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 4 -nitrobenzene-1,3 -diamine in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical 4 -nitrobenzene-1,3 -diamine into the sediment is less than 1% (i.e, reported as 0.0941%), indicates that 4-nitrobenzene-1,3-diamine is not persistent in sediment.

Key value for chemical safety assessment

Half-life in water:
37.5 d
at the temperature of:
25 °C
Half-life in sediment:
337.5 d
at the temperature of:
25 °C

Additional information

Estimation Programs Interface (EPI) Suite (2017) prediction model was run to predict the half-life in water and sediment for the test compound

4 -nitrobenzene-1,3 -diamine (CAS No. 5131 -58 -8). If released in to the environment, 21.1% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4-nitrobenzene-1,3-diamine in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 4 -nitrobenzene-1,3 -diamine in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical 4 -nitrobenzene-1,3 -diamine into the sediment is less than 1% (i.e, reported as 0.0941%), indicates that 4-nitrobenzene-1,3-diamine is not persistent in sediment.