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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Based on an acceptable computer model.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: modeling
Title:
Estimation Programs Interface Suite for|Microsoft® Windows, Version 3.11. United States|Environmental Protection Agency, Washington, DC, USA.
Author:
U.S. EPA.
Year:
2000

Materials and methods

Model:
calculation according to Mackay, Level III
Release year:
2 006

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium methanethiolate
EC Number:
225-969-9
EC Name:
Sodium methanethiolate
Cas Number:
5188-07-8
Molecular formula:
CH4S.Na
IUPAC Name:
sodium methylsulfanide

Results and discussion

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):
=======================================
  Chem Name   : Sodium thiomethoxide
  Molecular Wt: 70.08
  Henry's LC  :   9.04e-006 atm-m3/mole (calc VP/Wsol)
  Vapor Press :  98 mm Hg  (Mpbpwin program)
  Liquid VP   :    138 mm Hg  (super-cooled)
  Melting Pt  :     40 deg C (user-entered)
  Log Kow     :    -2.33  (Kowwin program)
  Soil Koc    :       0.00192  (calc by model)

            Mass Amount    Half-Life    Emissions
                 (percent)          (hr)           (kg/hr)
   Air             9.68              242            1000    
  
   Water        51.1              360            1000       
   Soil            39.2             360             1000    
  
   Sediment  0.0851     1.44e+003         0          

                   Fugacity    Reaction    Advection  
Reaction    Advection
                     (atm)         (kg/hr)        (kg/hr)   
  (percent)     (percent)
   Air            2.9e-010       238            831         
 7.94            27.7      
   Water       2.83e-010      844          439           
28.1            14.6      
   Soil           8.02e-009      647           0            
 21.6               0         
   Sediment  2.36e-010    0.352       0.0146       0.0117   
  0.000487  

   Persistence Time: 286 hr
   Reaction Time:     496 hr
   Advection Time:    676 hr
   Percent Reacted:  57.7
   Percent Advected: 42.3

   Half-Lives (hr), (based upon Biowin (Ultimate) and
Aopwin):
      Air:            241.9
      Water:       360
      Soil:          360
      Sediment: 1440
        Biowin estimate: 3.044  (weeks)

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

Applicant's summary and conclusion