1,3-dichlorobenzene

Adsorption / desorption

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

Reference

Reference 1

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 2

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

Test material information

Constituent 1

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.