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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2019
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation
PCKOCWIN v1.66
GLP compliance:
not specified
Computational methods:
Koc (estimated): 207
SMILES : OC(C)CN(CCCN(CCCN(C)C)CCCN(C)C)CC(O)C
CHEM :
MOL FOR: C19 H44 N4 O2
MOL WT : 360.59
--------------------------- PCKOCWIN v1.66 Results ---------------------------
First Order Molecular Connectivity Index ........... : 11.701
Non-Corrected Log Koc .............................. : 6.8452
Fragment Correction(s):
12 Nitrogen to Carbon (aliphatic) (-N-C).. : -1.4904
2 Aliphatic Alcohol (-C-OH) ........... : -3.0386
Corrected Log Koc .................................. : 2.3162
Estimated Koc: 207.1
Key result
Type:
Koc
Value:
207.1 dimensionless
pH:
7
Conclusions:
Koc calculated: 207.1

Description of key information

PCKOCWIN v1.66

Koc 207.1

log Koc: 2.3162

Key value for chemical safety assessment

Koc at 20 °C:
207.1

Additional information