Registration Dossier

Administrative data

Endpoint:
adsorption / desorption
Remarks:
other: model results
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
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

Reference
Name:
Unnamed
Type:
Constituent
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)