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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
2015
Bibliographic source:
Episuite data (Episuite 4.11)

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Episuite 4.11
Release year:
2 012
Media:
other: air-water-soil-sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
Di(tert-butyl) carbonate
EC Number:
246-240-1
EC Name:
Di(tert-butyl) carbonate
Cas Number:
24424-99-5
Molecular formula:
C10H18O5
IUPAC Name:
di-tert-butyl carbonate

Results and discussion

Percent distribution in media

Air (%):
39.1
Water (%):
50.2
Soil (%):
10.6
Sediment (%):
0.12

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name  : Dicarbonic acid, bis(1,1-dimethylethyl) ester

Molecular Wt: 218.25

Henry's LC : 0.00244 atm-m3/mole (Henrywin program)

Vapor Press : 0.0288 mm Hg (Mpbpwin program)

Log Kow    : 1.87 (Kowwin program)

Soil Koc   : 10 (KOCWIN MCI method)

 

Mass Amount   Half-Life   Emissions

(percent)       (hr)      (kg/hr)

Air      39.1           256         1000

Water    50.2           900         1000

Soil     10.6           1.8e+003    1000

Sediment 0.12           8.1e+003    0

 

Fugacity   Reaction   Advection  Reaction   Advection

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

Air      2.23e-010   539        1.99e+003  18         66.3

Water    1.43e-008   197        256        6.56       8.52

Soil     5.96e-008   20.7       0          0.69       0

Sediment 1.38e-008   0.0522     0.0122     0.00174    0.000407

 

Persistence Time: 170 hr

Reaction Time:   673 hr

Advection Time:  227 hr

Percent Reacted: 25.2

Percent Advected: 74.8

 

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

Air:     255.8

Water:   900

Soil:    1800

Sediment: 8100

Biowin estimate: 2.293 (weeks-months)

 

Advection Times (hr):

Air:     100

Water:   1000

Sediment: 5e+004

Applicant's summary and conclusion