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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
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 v4.11

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:
Trimethyl orthoformate
EC Number:
205-745-7
EC Name:
Trimethyl orthoformate
Cas Number:
149-73-5
Molecular formula:
C4H10O3
IUPAC Name:
trimethoxymethane

Results and discussion

Percent distribution in media

Air (%):
3.04
Water (%):
44.3
Soil (%):
52.6
Sediment (%):
0.083

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name : Methane, trimethoxy-

Molecular Wt: 106.12

Henry's LC : 5.92e-007 atm-m3/mole (Henrywin program)

Vapor Press : 36.6 mm Hg (Mpbpwin program)

Log Kow : 0.25 (Kowwin program)

Soil Koc : 1 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.04 42.8 1000

Water 44.3 360 1000

Soil 52.6 720 1000

Sediment 0.0829 3.24e+003 0

Fugacity Reaction Advection Reaction Advection

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

Air 8.07e-011 568 351 18.9 11.7

Water 1.43e-011 985 512 32.8 17.1

Soil 5.81e-010 584 0 19.5 0

Sediment 1.3e-011 0.205 0.0192 0.00683 0.000639

Persistence Time: 385 hr

Reaction Time: 540 hr

Advection Time: 1.34e+003 hr

Percent Reacted: 71.2

Percent Advected: 28.8

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

Air: 42.79

Water: 360

Soil: 720

Sediment: 3240

Biowin estimate: 2.939 (weeks )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion