Hexylamine

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption

Remarks:

adsorption

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Estimated data generated using the EPI Suite model developed by the USEPA

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

KOCWIN Program (v2.00)

GLP compliance:

not specified

Type of method:

other: MCI Method

Media:

soil

Radiolabelling:

not specified

Test temperature:

25 degC

Analytical monitoring:

not specified

Type:

Koc

Value:

146.9

Temp.:

25 °C

Remarks on result:

other: Log Koc= 2.1670 (Estimated via MCI method)

KOCWIN Program (v2.00) Results:

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

SMILES : NCCCCCC

CHEM : 1-Hexanamine

MOL FOR: C6 H15 N1

MOL WT : 101.19

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

Koc Estimate from MCI:

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

First Order Molecular Connectivity Index ........... : 3.414

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.3796

Fragment Correction(s):

1 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.2127

Corrected Log Koc .................................. : 2.1669

Estimated Koc: 146.9 L/kg

Conclusions:

The Soil Adsorption Coefficient i.e Koc value of Hexylamine was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 146.9 L/kg(log Koc=2.1670) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Hexylamine has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Executive summary:

The Soil Adsorption Coefficient i.e Koc value of Hexylamine was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 146.9 L/kg(log Koc=2.1670) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Hexylamine has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Description of key information

The Soil Adsorption Coefficient i.e Koc value of Hexylamine was estimated using EPI suite  KOCWIN Program (v2.00) program as Koc 146.9  L/kg(log Koc=2.1670)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance  Hexylamine has a Low sorption to soil and  sediment and therefore have moderate migration potential to groundwater.

Key value for chemical safety assessment

Koc at 20 °C:

146.9

Additional information

Experimental and Predicted data of adsorption endpoint for the target chemical hexylamine (Cas no. 111-26-2) and its read across chemical were reviewed to summarize as follows:  

From predicted model EPI suite 2016 indicate that the soil adsorption coefficient (Koc) value of chemical hexylamine is estimated to be 146.9 L/kg (log KOC = 2.1670) by means of MCI method at 25 deg.C, indicating that it is has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

 And read across Hexamethylenediamine (Cas no. 124-09-4)experimental study from HSDB authorative database indicate that the adsorption coefficient (Koc) of substance Hexamethylenediamine was found to be 286 using structure estimation method. This Koc value suggests that hexamethylene diamine is expected to have moderate mobility in soil.

From same source i.e HSDB database the adsorption coefficient (Koc) of read across substance Decylamine (Cas no. 2016-57-1) was found to be 260 using log Kow of 1.92 and a regression-derived equation. This Koc value suggests that decylamine is expected to have moderate mobility in soil.

Thus based on the above all studies it is concluded that the test substance hexylamine (Cas no. 111-26-2) has a Low sorption to soil and sediment i.e have moderate mobility to soil/ sediment.

[LogKoc: 2.167]