Registration Dossier

Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
N/A
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: This information has been taken over from the finalized and published SIDS Initial Assessment Profile, prepared under the OECD HPV Program (and therefore considered reliable). It is added for information.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
EPISUITE v3.2
Author:
EPA
Year:
2007

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPISUITE
Release year:
2 007

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Percent distribution in media

Air (%):
1.1
Water (%):
45.6
Soil (%):
53.2
Sediment (%):
0.089

Any other information on results incl. tables

This full-output is the output as also used for the SIAP under the 
OECD HPV Program (no update was done with a newer EPISUITE version).

Level III Fugacity Model
=======================================
Chem Name : 2-Furancarboxaldehyde
Molecular Wt: 96.09
Henry's LC : 1.34e-005 atm-m3/mole (Henrywin program)
Vapor Press : 5.33 mm Hg (Mpbpwin program)
Log Kow : 0.83 (Kowwin program)
Soil Koc : 2.77 (calc by model)

Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.1 6.86 1000
Water 45.6 360 1000
Soil 53.2 720 1000
Sediment 0.0887 3.24e+003 0

Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 2.74e-011 1.09e+003 108 36.3 3.6
Water 3.1e-010 857 445 28.6 14.8
Soil 1.1e-008 500 0 16.7 0
Sediment 2.83e-010 0.185 0.0173 0.00618 0.000578

Persistence Time: 325 hr
Reaction Time: 399 hr
Advection Time: 1.77e+003 hr
Percent Reacted: 81.6
Percent Advected: 18.4

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 6.859
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.009 (weeks )

Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Based on Level III distribution modelling using EPISUITE (assuming equal and continuous releases to air, water and soil), it is estimated that the majority of furfural released to the environment will partition mainly into soil (53.2%) and water (45.6%) with small amounts to air (1.1%) and sediment (<0.1%).