Stoddard solvent

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

not applicable

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

QSAR prediction: US EPA accepted QSAR method for organic chemicals properties assessment. Recognised method of fugacity calculations.

Data source

Reference

Reference Type:

other: QSAR

Title:

EPI Suite v 4.1/Level III Fugacity Model

Author:

US EPA

Year:

2014

Bibliographic source:

http://epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

EPI Suite v 4.1/Level III Fugacity Model

Release year:

2 014

Media:

other: all

Test material

Test material information

Constituent 1

Reference substance name:

Stoddard solvent

EC Number:

232-489-3

EC Name:

Stoddard solvent

Cas Number:

8052-41-3

Molecular formula:

C10H22

IUPAC Name:

stoddard solvent

Test material form:

liquid

Study design

Test substance input data:

- Parameters as per physicochemical summary data.
- Reaction half-life estimates for:
Air: 22.13
Water: 208.1
Soil: 416.2
Sediment: 1873

Environmental properties:

- Environmental compartment sizes and character as per the TGD

Results and discussion

Percent distribution in media

Air (%):

26.9

Water (%):

69.1

Soil (%):

1.73

Sediment (%):

2.27

Susp. sediment (%):

0

Biota (%):

0

Aerosol (%):

0

Other distribution results:

The figures above represent the first emission scenario shown below

Any other information on results incl. tables

 

Level III Fugacity Model (Full-Output):

=======================================

 Chem Name  : Stoddard solvent

 Molecular Wt: 142.29

 Henry's LC : 5.15 atm-m3/mole (Henry database)

 Vapor Press : 1.73 mm Hg (Mpbpwin program)

 Log Kow    : 5.01 (Kowwin program)

 Soil Koc   : 1.45e+003 (KOCWIN MCI method)

  

TABLE 1

	Mass Amount (percent)	Half-Life (hr)	Emissions   (kg/hr)
Air	26.9	22.1	1000
Water	69.1	208	1000
Soil	1.73	416	1000
Sediment	2.27	1.87e+003	0

 

   Persistence Time: 70.7 hr

  Reaction Time:   92.9 hr

  Advection Time:  296 hr

  Percent Reacted: 76.1

  Percent Advected: 23.9

 

  Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

     Air:     22.13

     Water:   208.1

     Soil:    416.2

     Sediment: 1873

       Biowin estimate: 3.481 (days-weeks )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

          

 

TABLE 2A

	Fugacity (atm)	Reaction (kg/hr)	Advection (kg/hr)	Reaction (percent)	Advection (percent)
Air	9.8e-011	1.79e+003	571	59.6	19
Water	2.63e-005	488	147	16.3	4.88
Soil	9.53e-008	6.1	0	0.203	0
Sediment	1.22e-005	1.78	0.0964	0.0595	0.00321

 

 

   Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:

Stoddard solvent has no affinity to be in soil and sediment. The direct emissions to air and surface water are significant, therefore Stoddard solventwill be almost exclusively be found in air and surface water.

Executive summary:

Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using inflow parameters which are consistent with the known production tonnage of this substance in, fugacity coefficient indicates that environmental concentrations in water are predicted to be   2.63e-005(atm), in air (atm) 9.8e-011and soil 9.53e-008 (atm) and sediment to be  1.22e-005 (atm).

These are negligible low levels. This can be considered a worse case prediction as it assumes all product is emitted with no emission control systems used