1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine

Biodegradation in soil

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in soil: 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

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

Fugacity Model level III by EPI Suite v 4.1 estimation database

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine
- Molecular formula :C13H18Cl2N2
- Molecular weight :273.205 g/mol
- Smiles notation : N1(c2cc(Cl)ccc2)CCN(CC1)CCCCl
- InChl : 1S/C13H18Cl2N2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2
- Substance type:Organic
- Physical state:Solid

Radiolabelling:

not specified

Oxygen conditions:

other: estimated

Soil classification:

not specified

Parameter followed for biodegradation estimation:

test mat. analysis

Details on experimental conditions:

Level III Fugacity model
EPI Suite contains a Level III fugacity model. In general, fugacity models predict the partitioning of an organic compound in an evaluative environment. A Level III model assumes steady-state but not equilibrium conditions. The Level III model in EPI Suite predicts partitioning between air, soil, sediment and water using a combination of default parameters and various input parameters that may be user defined or estimated by other programs within EPI Suite.

The model environment consists of 4 main compartments: air, water sediment and soil. There are also sub-compartments such as an aerosol phase, suspended solids, and biota phase, within specific main compartments. A fixed temperature of 25ᵒC is assumed. Mass transport between the compartments via volatilization, diffusion, deposition and runoff are modeled. level III models is a steady state, non-equilibrium model. Steady state conditions mean that the change in concentration of a chemical in each compartment (i) with respect to time eventually approaches zero. The model does not assume that a common equilibrium (fugacity) exists between the phases, so if a chemical is emitted into one compartment it can partition to the other compartments. Loss of chemical occurs through two processes: reaction and advection. Reaction is the biotic or abiotic degradation of the chemical that is calculated using the user specified or model calculated half-lives of the chemical in each of the 4 main compartments. Advection processes are considered for the air, water and sediment compartments. Advection is the removal of chemical from a compartment through losses other than degradation (reaction). The rate of advection in a given compartment is determined by a flow rate (m3/hour), calculated by dividing the volume of the compartment by an advection time.

Soil No.:

#1

% Recovery:

92.8

Remarks on result:

other: Other details not known

Key result

Soil No.:

#1

% Degr.:

50

Parameter:

other: Half-life

Sampling time:

360 d

Remarks on result:

other: Other details not known

Key result

Soil No.:

#1

DT50:

360 d

Type:

other: estimated data

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)	Emission (kg/hr)
Soil	92.8	8.64e+003	1000

	Fugacity(atm)	Reaction (kg/hr)	Advection (kg/hr)	Reaction (percent)	Advection (percent)
Soil	6.42e-013	1.16e+003	0	38.8	0

Conclusions:

Biodegradation half-life of test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine in soil was estimated to be 360 days (8640 hrs).

Executive summary:

The half-life period of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (CAS No. 39577-43 -0) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 92.8% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine in soil is estimated to be 360 days (8640 hrs). Based on this half-life value of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to high.

Description of key information

The half-life period of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (CAS No. 39577-43 -0) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 92.8% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine in soil is estimated to be 360 days (8640 hrs). Based on this half-life value of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to high.

Key value for chemical safety assessment

Half-life in soil:

360 d

at the temperature of:

25 °C

Additional information

The half-life period of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (CAS No. 39577-43 -0) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 92.8% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine in soil is estimated to be 360 days (8640 hrs). Based on this half-life value of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to high.