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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Reference
Endpoint:
biodegradation in water: simulation testing on ultimate degradation in surface water
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
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
Fugacity Model by EPI Suite estimation database
GLP compliance:
no
Radiolabelling:
not specified
Oxygen conditions:
other: estimation
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Compartment:
other: water, material (mass) balance
% Recovery:
14.3
Compartment:
other: sediment, material (mass) balance
% Recovery:
5.21
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
DT50:
37.5 d
Type:
other: estimation
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
337.5 d
Type:
other: estimation
Temp.:
25 °C
Remarks on result:
other: Other details not known
Transformation products:
not specified
Evaporation of parent compound:
not specified
Volatile metabolites:
not specified
Residues:
not specified

 

 

Mass Amount   

(percent)       

Half-Life   

 (hr)      

Emissions

(kg/hr)

Water

14.3

900  

1000

Sediment

5.21

8.1e+003

0

 

 

Fugacity

(atm)

Reaction

(kg/hr)

Advection (kg/hr)

Reaction

(percent)  

Advection (percent)  

Water

2.93e-012   

443

575

14.8

19.2

Sediment

3.55e-012   

17.9

4.18

0.596

0.139

 

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of Diphenylacetonitrile 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 (2016) prediction model was run to predict the half-life in water and sediment for the test compound Diphenylacetonitrile (CAS No. 86 -29 -3). Half-life of Diphenylacetonitrile in water is estimated to be 37.5 days (900 hrs) while in sediment it is 337.5 days (8100 hrs). Based on these half-life values of Diphenylacetonitrile, it is concluded that the chemical is not persistent in water and persistent in sediment.

Description of key information

 Estimated half life of Diphenylacetonitrile in water was 37.5 days (900 h) and in sediment estimated to be 337.5 days (8100 h).

Key value for chemical safety assessment

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

Additional information

Estimation Programs Interface (EPI) Suite (2016) prediction model was run to predict the half-life in water and sediment for the test compound Diphenylacetonitrile (CAS No. 86 -29 -3). Half-life of Diphenylacetonitrile in water is estimated to be 37.5 days (900 hrs) while in sediment it is 337.5 days (8100 hrs). Based on these half-life values of Diphenylacetonitrile, it is concluded that the chemical is not persistent in water and persistent in sediment.