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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method
Justification for type of information:
Level I Mackay fugacity model

Data source

Reference
Reference Type:
other:
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Mackay Level I Model
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethylenediamine-N,N'-di(acetic acid)
EC Number:
227-105-6
EC Name:
Ethylenediamine-N,N'-di(acetic acid)
Cas Number:
5657-17-0
Molecular formula:
C6H12N2O4
IUPAC Name:
2-({2-[(carboxymethyl)amino]ethyl}amino)acetic acid
Test material form:
not specified
Details on test material:
SMILES : O=C(O)CNCCNCC(=O)O
CHEM : Glycine, N,N'-1,2-ethanediylbis-
MOL FOR: C6 H12 N2 O4
MOL WT : 176.17
Specific details on test material used for the study:
Substance name = ED2A-H2
Formula = C6H12N2O4

Used for Level I calculation:
Mol Weight = 1.76E+02 g.mol-1
Vapour pressure = 3.90E-06 Pa
Water solubility = 1.00E+06 mg.l-1
log K(oct.-water) = -4.79E+00 -

Study design

Test substance input data:
Substance name = ED2A-H2
Formula = C6H12N2O4

Used for Level I calculation:
Mol Weight = 1.76E+02 g.mol-1
Vapour pressure = 3.90E-06 Pa
Water solubility = 1.00E+06 mg.l-1
log K(oct.-water) = -4.79E+00 -
Environmental properties:
V (air) = 1.00E+14 m3
V (water) = 2.00E+11 m3
V (soil) = 9.00E+09 m3
V (biota) = 2.00E+05 m3
V (sediment) = 1.00E+08 m3
V (suspended sediment) = 1.00E+06 m3

CORG (soil) = 2.00E+00 % C
CORG (sediment) = 4.00E+00 % C
CORG (suspended sediment)= 2.00E+01 % C

RHO (soil) = 2.40E+03 kg.m-3
RHO (biota) = 1.00E+03 kg.m-3
RHO (sediment) = 2.40E+03 kg.m-3
RHO (Suspended sediment)= 1.50E+03 kg.m-3

TEMPERATUUR T = 2.98E+02 K
GASCONSTANT R = 8.31E+00 Pa.m3/mol.K
HENRY LAW constant = 6.87E-10 Pa.m3/mol
Koc = 6.65E-06 -
BCF = 8.11E-07 l.kg-1

emission rate* = 1.00E+02 mol
*In a level I calculation there is infinite time to equilibrate which means that it doesn't matter to what compartment the emission occurs.

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
100
Soil (%):
0
Sediment (%):
0

Any other information on results incl. tables

ED2A-H2

Results

LEVEL I

 Volume Z VZ C = fZ M %
(m3) (mol/m3*Pa)
Air 1.00E+14 4.03E-04 4.03E+10 1.39E-22 1.39E-08 0.000
Water 2.00E+11 1.46E+09 2.91E+20 5.00E-10 1.00E+02 100.000
Soil 9.00E+09 4.65E+02 4.18E+12 1.60E-16 1.44E-06 0.000
Biota 2.00E+05 1.18E+03 2.36E+08 4.05E-16 8.11E-11 0.000
Sediment 1.00E+08 9.29E+02 9.29E+10 3.19E-16 3.19E-08 0.000
Susp 1.00E+06 2.90E+03 2.90E+09 9.97E-16 9.97E-10 0.000
- - - - - -
Total 1.00E+14 1.46E+09 2.91E+20 5.00E-10 1.00E+02 100.000
Fugacity f = 3.44E-19 Pa

Applicant's summary and conclusion

Executive summary:

The distribution of ED2A-H2 over the different environmental compartments was calculated using a Level I fugacity model according to Mackay & Paterson. ED2A-H2 will distrubute for 100% to water.