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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
adsorption / desorption
Remarks:
other: model
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
review article or handbook
Title:
EPISUITE Modleing Results for Tris Dipropylene Glycol Phosphite
Author:
U.S. EPA
Year:
2013
Bibliographic source:
U.S. EPA
Report date:
2013

Materials and methods

Principles of method if other than guideline:
Modelled results using KOCWIN v2.00.
GLP compliance:
no
Type of method:
other: model
Media:
other: model

Test material

Constituent 1
Chemical structure
Reference substance name:
7-[2-(2-hydroxymethylethoxy)methylethoxy]tetramethyl-3,6,8,11-tetraoxa-7-phosphatridecane-1,13-diol
EC Number:
253-211-7
EC Name:
7-[2-(2-hydroxymethylethoxy)methylethoxy]tetramethyl-3,6,8,11-tetraoxa-7-phosphatridecane-1,13-diol
Cas Number:
36788-39-3
Molecular formula:
C18H39O9P
IUPAC Name:
7-[2-(2-hydroxymethylethoxy)methylethoxy]tetramethyl-3,6,8,11-tetraoxa-7-phosphatridecane-1,13-diol
Test material form:
not specified

Results and discussion

Adsorption coefficient
Type:
Koc
Value:
3.12 L/kg
pH:
7
Temp.:
25 °C
Remarks on result:
not measured/tested

Any other information on results incl. tables

--------------------------- KOCWIN v2.00 Results ---------------------------

Koc Estimate from MCI: --------------------- First Order Molecular Connectivity Index ........... : 13.133 Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 7.4461 Fragment Correction(s): 2 Aliphatic Alcohol (-C-OH) ........... : -2.6358 3 Ether, aliphatic (-C-O-C-) .......... : -2.6148 Corrected Log Koc .................................. : 2.1955

Estimated Koc: 156.9 L/kg <===========

Koc Estimate from Log Kow: ------------------------- Log Kow (User entered ) ......................... : 1.20 Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 1.5889 Fragment Correction(s): 2 Aliphatic Alcohol (-C-OH) ........... : -0.8229 3 Ether, aliphatic (-C-O-C-) .......... : -0.2718 Corrected Log Koc .................................. : 0.4942

Estimated Koc: 3.12 L/kg <===========

Applicant's summary and conclusion

Conclusions:
Koc predictions for 3.12 L/kg and 156.9 L/kg using KocWIN 2.0 model.
Executive summary:

Koc predictions for 3.12 L/kg and 156.9 L/kg using KocWIN 2.0 model.