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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Title:
No information
Author:
Anonymous
Year:
2016
Bibliographic source:
Episuite data (Epiweb 4.11)

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Epiweb 4.11
Release year:
2 008
Media:
other: air-water-soil-sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
Nitrilotriacetic acid
EC Number:
205-355-7
EC Name:
Nitrilotriacetic acid
Cas Number:
139-13-9
Molecular formula:
C6H9NO6
IUPAC Name:
2-[bis(carboxymethyl)amino]acetic acid

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
24.3
Soil (%):
75.7
Sediment (%):
0

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name  : Glycine, N,N-bis(carboxymethyl)-

Molecular Wt: 191.14

Henry's LC : 1.19e-016 atm-m3/mole (Henrywin program)

Vapor Press : 7.16e-009 mm Hg (Mpbpwin program)

Liquid VP  : 3.48e-006 mm Hg (super-cooled)

Melting Pt : 297 deg C (Mpbpwin program)

Log Kow    : -3.81 (Kowwin program)

Soil Koc   : 26.3 (KOCWIN MCI method)

 

Mass Amount   Half-Life   Emissions

(percent)       (hr)      (kg/hr)

Air      4.72e-009      2.95        1000

Water    24.3           208         1000

Soil     75.7           416         1000

Sediment 0.0653         1.87e+003   0

 

Fugacity   Reaction   Advection  Reaction   Advection

(atm)     (kg/hr)     (kg/hr)   (percent)  (percent)

Air      6.23e-020   1.44e-005  6.13e-007  4.81e-007  2.04e-008

Water    9.8e-022    1.05e+003  315        35         10.5

Soil     3.65e-020   1.64e+003  0          54.5       0

Sediment 8.09e-022   0.314      0.0169     0.0105     0.000565

 

Persistence Time: 433 hr

Reaction Time:   483 hr

Advection Time:  4.12e+003 hr

Percent Reacted: 89.5

Percent Advected: 10.5

 

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

Air:     2.947

Water:   208.1

Soil:    416.2

Sediment: 1873

Biowin estimate: 3.616 (days-weeks )

 

Advection Times (hr):

Air:     100

Water:   1000

Sediment: 5e+004

Applicant's summary and conclusion