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Environmental fate & pathways

Adsorption / desorption

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Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data from peer-reviewed handbook or collection of data.

Data source

Referenceopen allclose all

Reference Type:
review article or handbook
Title:
Reaxys ID 956618
Author:
Reaxys
Year:
2015
Bibliographic source:
https://www.reaxys.com/reaxys/secured/start.do
Report date:
2015
Reference Type:
publication
Title:
PREDICTION ADSORPTION COEFFICIENTS (KOC) FOR AROMATIC COMPOUNDS BY HPLC RETENTION FACTORS (K')
Author:
Hong, H., Wang, L. and Han, S.
Year:
1996
Bibliographic source:
Chemosphere, Vol. 32, No. 2, pp. 343-351, 1996
Report date:
1995

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
GLP compliance:
no
Type of method:
HPLC estimation method
Media:
soil

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-dichlorobenzene
EC Number:
208-792-1
EC Name:
1,3-dichlorobenzene
Cas Number:
541-73-1
Molecular formula:
C6H4Cl2
IUPAC Name:
1,3-dichlorobenzene
Test material form:
other: liquid
Details on test material:
purity not specified

Study design

HPLC method

Details on study design: HPLC method:
- Instrument:
The HPLC system (Shimadzu, Japan) consisted of a SCL-8A system monitor, a LC-8A pump, a C-R4A integrator and a SPD-6AV ultraviolet
spectrophotometer as the detector.
- Determination of capacity factors:
A YWG C18 column (20 x 0. 46 cm, 10 µm) was used. Mobile phases were made by mixing methanol with water in the proportions 90:10, 85:15, 80:20, 75:25 and 70:30 (v/v). The flow rate was 1.0 mL /min.
Methanol solution of uracil was used for the measurement of dead time. All measurements were made at least in triplicate. The average reproducibility of each determination was better than 1.0 % relative. The capacity factors obtained at different mobile phase composition are
log K' (90 %) = 0.085
log K' (85 %) = 0.274
log K' (80 %) = 0.473
log K' (75 %) = 0.695
log K' (70 %) = 0.889
log K' (Ø %) = 3.730

Results and discussion

Adsorption coefficient
Type:
log Koc
Value:
2.5

Any other information on results incl. tables

Using retention data from apolar stationary phase can get good prediction tool for estimating adsorption coefficients an soil for both non-polar and polar chemicals by adding a second variable that takes nonhydrophobic interactions into account. Either the Δ°x term or the hydrogen-bonding indicator variable can be used as the second variable. The predicted values of log Koc from Eq. 2 and 9, and the differences between the experimental values are shown in the table.

Log Koc values obtained by HPLC and differences from reported values:

 Compound  exp.  cal. by eq.2  cal. by eq. 9
 1,3- dichlorobenzene  2.50  2.62

 2.62

Due to the disadvantages of Kow relationships mentioned in the introduction part, and more important, chromatographic parameters have some advantages:

(a) the chromatographic method is simple and rapid;

(b) it requires little material, which is important with compounds that are expensive and/or difficult to synthesize;

(c) the material does not need to be very pure, the use of chromatography in prediction of environmental parameter is very promising.

Applicant's summary and conclusion

Validity criteria fulfilled:
not specified
Conclusions:
The absorption of 1,3-dichlorobenzene in soil was determined as log Koc = 2.50.
Executive summary:

The absorption of 1,3-dichlorobenzene in soil was determined as log Koc = 2.50.

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