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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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, other
Remarks:
other: model results
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: model results
Title:
Kocwin Program (v2.00) Results for TNPP
Author:
US EPA
Year:
2010
Bibliographic source:
US EPA EPISUITE Model
Report date:
2010

Materials and methods

Principles of method if other than guideline:
Model results using KOCWIN 2.00.
GLP compliance:
no
Type of method:
other: model results
Media:
other: model results

Test material

Constituent 1
Chemical structure
Reference substance name:
Tris(nonylphenyl) phosphite
EC Number:
247-759-6
EC Name:
Tris(nonylphenyl) phosphite
Cas Number:
26523-78-4
Molecular formula:
C45H69O3P
IUPAC Name:
Phenol, nonyl-, phosphite (3:1)
Radiolabelling:
no

Study design

Batch equilibrium or other method

Analytical monitoring:
no

Results and discussion

Adsorption coefficient
Type:
log Koc
Value:
10 - 17
Temp.:
25 °C
Remarks on result:
other: Results from two models

Any other information on results incl. tables

KOCWIN Program (v2.00) Results:

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

SMILES : CCCCCCCCCc1ccc(cc1)OP(Oc2cccc(c2)CCCCCCCCC)Oc3ccc(cc3)CCCCCCCCC

CHEM : Phenol, nonyl-, phosphite (3:1)

MOL FOR: C45 H69 O3 P1

MOL WT : 689.02

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

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 24.195

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 13.2124

Fragment Correction(s) --> NONE : ---

Corrected Log Koc .................................. : 13.2124

Estimated Koc: 1e+010 L/kg

Koc Estimate from Log Kow:

-------------------------

Log Kow (Kowwin estimate) ......................... : 20.05

Non-Corrected Log Koc (0.8679 logKow - 0.0004) ..... : 17.4010

Fragment Correction(s) --> NONE : ---

Corrected Log Koc .................................. : 17.4010

Estimated Koc: 2.518e+017 L/kg

Applicant's summary and conclusion

Conclusions:
Estimated Koc: 1e+010 L/kg (Koc Estimate from MCI)Estimated Koc: 2.518e+017 L/kg (base on Log Kow)
Executive summary:

Estimated Koc: 1e+010 L/kg (Koc Estimate from MCI)

Estimated Koc: 2.518e+017 L/kg (base on Log Kow)