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Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Peer reviewed data

Data source

Referenceopen allclose all

Reference Type:
other: Unpublished calculation
Title:
Equilibrium Concentration Model (EQC) Level III v1.01
Author:
U.S. EPA (U.S. Environmental Protection Agency).
Year:
2000
Bibliographic source:
EPI Suite, Version 3.11; Level III Fugacity Model; PC-computer software developed by EPA's Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC).
Reference Type:
secondary source
Title:
SIDS Initial Assessment Report For SIAM 18, Ethyl Acrylate, CAS No. 140-88-5
Author:
OECD SIDS
Year:
2004
Bibliographic source:
OECD SIDS

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Equilibrium Concentration Model (EQC) Level 3 (v 1.01)
Release year:
2 000
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethyl acrylate
EC Number:
205-438-8
EC Name:
Ethyl acrylate
Cas Number:
140-88-5
Molecular formula:
C5H8O2
IUPAC Name:
ethyl acrylate
Details on test material:
- Name of test material (as cited in study report): Ethyl acrylate

Study design

Environmental properties:
air, water, soil, sediment (Emissions = 8.5, 0, 0 and 0 kg/hr air, water, soil and sediment, respectively)

Results and discussion

Percent distribution in media

Air (%):
95
Water (%):
4.6

Any other information on results incl. tables

Concentration (%):
Air 95
Water 4.6
Soil < 1
Sediment < 0.1


Level III Fugacity Model (Full-Output):


  Chem Name   :  2-Propenoic acid, ethyl ester
  Molecular Wt:  100.12
  Henry's LC  :  0.000339 atm-m3/mole (Henry database)
  Vapor Press :  28.6 mm Hg  (user-entered)
  Log Kow     :  1.18  (user-entered)
  Soil Koc    :  6.21  (calc by model)

           Mass Amount         Half-Life        Emissions
            (percent)            (hr)            (kg/hr)
   Air         95                 12               8.5        
   Water        4.61             360               0          
   Soil         0.421          360               0          
   Sediment     0.00868       1.44E+003          0          

            Fugacity       Reaction      Advection    Reaction      Advection
             (atm)          (kg/hr)       (kg/hr)     (%)      (%)
   Air      3.06E-013        7.23           1.26         85            14.8 

   Water 1.03E-013 0.0117 0.0061 0.138 0.0717

Soil 2.32E-013 0.0107 0 0.0126 0

Sediment 8.46e-014  5.52E-006 2.3E-007 6.5E-005 2.7E-006


   Persistence Time:  15.6 hr
   Reaction Time:     18.3 hr
   Advection Time:    105 hr
   Percent Reacted:   85.2
   Percent Advected:  14.8

   Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
      Air:      12.04
      Water:    360
      Soil:     360
      Sediment:  1440
      Biowin estimate: 3.118  (weeks)

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

Applicant's summary and conclusion