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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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

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

Constituent 1
Chemical structure
Reference substance name:
2-furaldehyde
EC Number:
202-627-7
EC Name:
2-furaldehyde
Cas Number:
98-01-1
Molecular formula:
C5H4O2
IUPAC Name:
2-furaldehyde

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%).