Registration Dossier
Registration Dossier
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EC number: 701-028-2 | CAS number: -
Adsorption / desorption
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:
- 2 010
- 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 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)
Constituent 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)
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