3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride

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: 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
- Molecular formula: C8H9Cl3O
- Molecular weight: 227.517
- Smiles notation: O=C([C@@H]1C(C)(C)[C@@H]1\C=C(/Cl)Cl)Cl
- InChl: 1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
- Substance type: Organic

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:

55.7

Remarks on result:

other: Other details not known

Key result

Soil No.:

#1

% Degr.:

50

Parameter:

other: Half-life

Sampling time:

120 d

Remarks on result:

other: Other details not known

Key result

Soil No.:

#1

DT50:

120 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	55.7	2.88e+003	1000

	Fugacity(atm)	Reaction (kg/hr)	Advection (kg/hr)	Reaction (percent)	Advection (percent)
Soil	4.65e-008	133	0	4.44	0

Conclusions:

Biodegradation half-life of test substance in soil was estimated to be 120 days (2880 hrs).

Executive summary:

The half-life period of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (CAS No. 52314 -67 -7) 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, 55.7% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of 3-(2,2-dichloro ethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Description of key information

The half-life period of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (CAS No. 52314 -67 -7) 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, 55.7% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of 3-(2,2-dichloro ethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Key value for chemical safety assessment

Half-life in soil:

120 d

at the temperature of:

25 °C

Additional information

The half-life period of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (CAS No. 52314 -67 -7) 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, 55.7% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of 3-(2,2-dichloro ethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.