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EC number: 212-298-1 | CAS number: 778-94-9
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 14 Aug – 11 Sep 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)
- Version / remarks:
- 2000
- GLP compliance:
- yes
- Remarks:
- The test was performed in compliance with the requirements of the Principles of Good Laboratory Practices (GB/T 22278-2008).
- Type of method:
- batch equilibrium method
- Media:
- soil
Test material
- Reference substance name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
- EC Number:
- 212-298-1
- EC Name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
- Cas Number:
- 778-94-9
- Molecular formula:
- C8H3F3N2O2
- IUPAC Name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
Constituent 1
- Radiolabelling:
- no
Study design
Batch equilibrium or other method
- Analytical monitoring:
- yes
- Details on sampling:
- - Concentrations: Six test substance concentrations (10.0, 20.0, 40.0, 60.0, 80.0, and 100 mg/L) were established for the treatments.
- Sampling interval: Test substance concentrations in the aqueous phase were measured after 48 h.
Matrix propertiesopen allclose all
- Matrix no.:
- #1
- Matrix type:
- loam
- % Clay:
- 33.04
- % Silt:
- 61.6
- % Sand:
- 5.36
- % Org. carbon:
- 6.54
- pH:
- 7.28
- CEC:
- 28.87 other: cmol/kg
- Matrix no.:
- #2
- Matrix type:
- silty clay
- % Clay:
- 42.24
- % Silt:
- 42.76
- % Sand:
- 15
- % Org. carbon:
- 1.36
- pH:
- 4.6
- CEC:
- 11.53 other: cmol/kg
- Matrix no.:
- #3
- Matrix type:
- silty clay loam
- % Clay:
- 6.16
- % Silt:
- 74.08
- % Sand:
- 19.76
- % Org. carbon:
- 5.36
- pH:
- 6.81
- CEC:
- 22.9 other: cmol/kg
- Matrix no.:
- #4
- Matrix type:
- silt loam
- % Clay:
- 22.16
- % Silt:
- 38.8
- % Sand:
- 39.04
- % Org. carbon:
- 1.39
- pH:
- 7.84
- CEC:
- 7.08 other: cmol/kg
- Matrix no.:
- #5
- Matrix type:
- silt loam
- % Clay:
- 14.84
- % Silt:
- 73.2
- % Sand:
- 11.96
- % Org. carbon:
- 6.85
- pH:
- 7.96
- CEC:
- 22.13 other: cmol/kg
- Details on matrix:
- COLLECTION AND STORAGE
- Geographic location: Jilin (matrix #1), Jiangxi (matrix #2), Jiangsu (matrix #3), Shandong (matrix #4), and Gansu (matrix #5)
- Sampling depth (cm): 10 cm - 15 cm of surface-layer
- Storage conditions: immediately sent to the laboratory under room temperature conditions.
- Soil preparation: The test soil was air dried at room temperature (20 - 25 °C), ground finely, sieved (0.3 mm), and homogenised thoroughly.
PROPERTIES
- Soil texture
- % sand: 5.36 (matrix #1), 15.0 (matrix #2), 19.76 (matrix #3), 39.04 (matrix #4), 11.96 (matrix #5)
- % silt: 61.3 (matrix #1), 42.76 (matrix #2), 74.08 (matrix #3), 38.8 (matrix #4), 73.2 (matrix #5)
- % clay: 33.04 (matrix #1), 42.24 (matrix #2), 6.16 (matrix #3), 22.16 (matrix #4), 14.84 (matrix #5)
- Horizon: 10 cm - 15 cm of surface-layer
- Soil taxonomic classification: Loam (matrix #1), silty clay (matrix #2), silty clay loam (matrix #3), silty loam (matrix #4), silty loam (matrix #5)
- pH: 7.28 (matrix #1), 4.60 (matrix #2), 6.81 (matrix #3), 7.84 (matrix #4), 7.96 (matrix #5)
- Organic carbon (%): 6.54 (matrix #1), 1.36 (matrix #2), 5.36 (matrix #3), 1.39 (matrix #4), 6.85 (matrix #5)
- CEC (cmol/kg): 28.87 (matrix #1), 11.53 (matrix #2), 22.90 (matrix #3), 7.08 (matrix #4), 22.13 (matrix #5) - Details on test conditions:
- TEST SYSTEM
- Type, size and further details on reaction vessel: 150 mL glass Erlenmeyer flasks with hard stoppers.
- Amount of soil/sediment/sludge and water per treatment (if simulation test): 1 g soil added to 50 mL test substance aqueous solution (0.01 mol/L CaCl2 medium)
- Soil/sediment/sludge-water ratio (if simulation test): 1/50
- Number of reaction vessels/concentration: 2
- Method of preparation of test solution: 0.0253 g test substance was precisely weighed, 0.01 mol/L CaCl2 used to dilute to 250 mL, yielding test substance standard stock solution I of concentration 100 mg/L.
- Are the residues from the adsorption phase used for desorption: yes
- Desorption: Steps for the desorption kinetics test were the same as those in tier two, except that, after test system equilibration, the aqueous phase was removed and cleaned as much as possible by centrifuging to separate the soil and water phases. An equal volume of 0.01 mol/L CaCl2 solution (without test substance) was added and removed, shaking performed continuously, and samples collected at different time points until adsorption equilibrium was reached. Test substance concentrations were measured in the aqueous phase.
Duration of adsorption equilibrationopen allclose all
- Sample No.:
- #1
- Duration:
- 48 h
- Initial conc. measured:
- >= 10 - <= 100 other: mg/L
- pH:
- 5.88
- Temp.:
- 25 °C
- Remarks:
- Concentrations are given as nominal concentrations.
- Sample No.:
- #2
- Duration:
- 48 h
- Initial conc. measured:
- >= 10 - <= 100 other: mg/L
- pH:
- 4.56
- Temp.:
- 25 °C
- Remarks:
- Concentrations are given as nominal concentrations
- Sample No.:
- #3
- Duration:
- 48 h
- Initial conc. measured:
- >= 10 - <= 100 other: mg/L
- pH:
- 7.77
- Temp.:
- 25 °C
- Remarks:
- Concentrations are given as nominal concentrations
- Sample No.:
- #4
- Duration:
- 48 h
- Initial conc. measured:
- >= 10 - <= 100 other: mg/L
- pH:
- 7.06
- Temp.:
- 25 °C
- Remarks:
- Concentrations are given as nominal concentrations
- Sample No.:
- #5
- Duration:
- 48 h
- Initial conc. measured:
- >= 10 - <= 100 other: mg/L
- pH:
- 7.6
- Temp.:
- 25 °C
- Remarks:
- Concentrations are given as nominal concentrations
Results and discussion
Adsorption coefficientopen allclose all
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 614 L/kg
- pH:
- 5.88
- Temp.:
- 25 °C
- % Org. carbon:
- 6.54
- Sample No.:
- #2
- Type:
- Koc
- Value:
- 986 L/kg
- pH:
- 4.56
- Temp.:
- 25 °C
- % Org. carbon:
- 1.36
- Sample No.:
- #3
- Type:
- Koc
- Value:
- 319 L/kg
- pH:
- 7.77
- Temp.:
- 25 °C
- % Org. carbon:
- 5.36
- Sample No.:
- #4
- Type:
- Koc
- Value:
- 753 L/kg
- pH:
- 7.06
- Temp.:
- 25 °C
- % Org. carbon:
- 1.39
- Sample No.:
- #5
- Type:
- Koc
- Value:
- 379 L/kg
- pH:
- 7.6
- Temp.:
- 25 °C
- % Org. carbon:
- 6.85
Results: Batch equilibrium or other method
- Transformation products:
- not measured
- Details on results (Batch equilibrium method):
- PRELIMINARY TEST
- Weighed soil: 10 g soil added to 50 mL test substance aqueous solution (0.01 mol/L CaCl2 medium), soil/water ratio 1/5; 2 g soil added to 50 mL test substance aqueous solution (0.01 mol/L CaCl2 medium), soil/water ratio 1/25; 1 g soil added to 50 mL test substance aqueous solution (0.01 mol/L CaCl2 medium), soil/water ratio 1/50.
- Test substance concentration in final solution: 505 mg/L
MAIN TEST: PERFORMANCE
- Experimental conditions maintained throughout the study: Yes
Any other information on results incl. tables
Table 1: Adsorption Isotherm Results
Soil |
A soil/water=1/50 |
B soil/water=1/50 |
C soil/water=1/50 |
D soil/water=1/50 |
E soil/water=1/50 |
|||||
Set concentration (mg/L) |
lgCaqads (eq) |
lgCsads (eq) |
lgCaqads (eq) |
lgCsads (eq) |
lgCaqads (eq) |
lgCsads (eq) |
lgCaqads (eq) |
lgCsads (eq) |
lgCaqads (eq) |
lgCsads (eq) |
10 |
0.607 |
0.775 |
0.871 |
0.409 |
0.850 |
0.465 |
0.858 |
0.444 |
0.657 |
0.737 |
20 |
1.02 |
0.471 |
1.162 |
0.739 |
1.16 |
0.751 |
1.19 |
0 664 |
0.998 |
1.00 |
40 |
1.35 |
1.24 |
1.50 |
0.929 |
1.49 |
0.959 |
1.50 |
0.906 |
1.35 |
1.25 |
60 |
1.56 |
1.38 |
1.69 |
1.05 |
1.67 |
1.13 |
1.69 |
1.06 |
1.58 |
1.35 |
80 |
1.62 |
1.58 |
1.81 |
1.20 |
1.80 |
1.23 |
1.81 |
1.17 |
1.70 |
1.48 |
100 |
1.74 |
1.65 |
1.90 |
1.32 |
1.89 |
1.34 |
1.91 |
1.26 |
1.82 |
1.53 |
Table 2: Freundlich Adsorption Equation and Relevant Data
Soil |
Freundlich adsorption equation |
KFads |
l/n |
matrix #1 |
y = 0.7841x + 0.2353, R2=0.9560 |
1.72 |
0.784 |
matrix #2 |
y = 0.816x - 0.274, R2= 0.9813 |
0.532 |
0.816 |
matrix #3 |
y = 0.8105x - 0.2162, R2= 0.9951 |
0.608 |
0.811 |
matrix #4 |
y = 0.7779x - 0.244, R2= 0.9966 |
0.570 |
0.778 |
matrix #5 |
y = 0.6795x + 0.3081, R2= 0.9948 |
2.03 |
0.680 |
Table 3: Adsorption Kinetics Test Results
Soil |
C soil/water=1/50 |
D soil/water=1/50 |
E soil/water=1/50 |
||||||
ti |
Caqads(ti) |
msads(ti) |
Ati |
Caqads(ti) |
msads(ti) |
Ati |
Caqads(ti) |
msads(ti) |
Ati |
(h) |
(mg/L) |
(μg) |
(%) |
(mg/L) |
(μg) |
(%) |
(mg/L) |
(μg) |
(%) |
1 |
7.68 |
116 |
23.2 |
8.11 |
94.5 |
18.9 |
6.55 |
173 |
34.5 |
3 |
7.64 |
118 |
23.6 |
8.21 |
89.7 |
17.9 |
6.59 |
171 |
34.1 |
5 |
7.45 |
127 |
25.5 |
8.17 |
91.7 |
18.3 |
6.41 |
179 |
35.9 |
7 |
7.57 |
121 |
24.3 |
8.21 |
89.5 |
17.9 |
6.65 |
168 |
33.5 |
24 |
7.61 |
119 |
23.9 |
8.16 |
91.8 |
18.4 |
6.69 |
166 |
33.1 |
48 |
7.45 |
127 |
25.5 |
8.27 |
86.5 |
17.3 |
6.58 |
171 |
34.2 |
Kd(cm3g-1) |
17.1 |
10.5 |
26.0 |
||||||
Koc(cm3g-1) |
319 |
753 |
379 |
||||||
Table 4: Measurement Results for Test Substance Recovery Rate in Five Soils
Spiked concentration (mg/L) |
Soil |
Measured concentration (mg/kg) |
Recovery rate (%) |
Mean recovery rate (%) |
RSD (%) |
505
|
Black soil
|
491 |
97.2 |
96.9 |
0.476 |
487 |
96.4 |
||||
491 |
97.2 |
||||
Red soil
|
491 |
97.1 |
97.3 |
0.178 |
|
492 |
97.4 |
||||
492 |
97.4 |
||||
Rice paddy soil
|
485 |
96.0 |
96.4 |
1.04 |
|
483 |
95.6 |
||||
492 |
97.5 |
||||
Loess
|
465 |
92.1 |
93.3 |
2.71 |
|
486 |
96.2 |
||||
462 |
91.6 |
||||
Meadow soil
|
462 |
91.5 |
90.9 |
0.936 |
|
460 |
91.2 |
||||
454 |
89.9 |
Table 5: Pre-Test Results
Soil |
A soil/water = 1/5 |
A soil/water = 1/25 |
A soil/water = 1/50 |
B soil/water = 1/5 |
B soil/water = 1/25 |
B soil/water = 1/50 |
||||||||||||
ti |
Caqads(ti) |
msads(ti) |
Ati |
Caqads(ti) |
msads(ti) |
Ati |
Caqads(ti) |
msads(ti) |
Ati |
Caqads(ti) |
msads(ti) |
Ati |
Caqads(ti) |
msadsti) |
Ati |
Caqads(ti) |
msads(ti) |
Ati |
(h) |
(mg/L) |
(μg) |
(%) |
(mg/L) |
(μg) |
(%) |
(mg/L) |
(μg) |
(%) |
(mg/L) |
(μg) |
(%) |
(mg/L) |
(μg) |
(%) |
(mg/L) |
(μg) |
(%) |
1 |
5.90 |
205 |
41.0 |
10.0 |
2.36 |
4.75 |
8.93 |
53.3 |
10.7 |
9.67 |
16.5 |
3.30 |
9.85 |
7.66 |
1 53 |
9.71 |
14.5 |
2.89 |
3 |
5.32 |
234 |
46.8 |
8.82 |
58.9 |
11.8 |
8.74 |
63.2 |
12.6 |
9.19 |
40.4 |
8.09 |
9.82 |
9.19 |
1.84 |
9.70 |
15.0 |
3.14 |
5 |
3.19 |
341 |
68.1 |
7.37 |
131.7 |
26.3 |
8.55 |
72.3 |
14.5 |
8.63 |
68.3 |
13.7 |
9.58 |
20.9 |
4.18 |
9.66 |
16.8 |
3.36 |
7 |
1.67 |
417 |
83.3 |
6.22 |
188.8 |
37.8 |
7.71 |
114.3 |
22.9 |
7.35 |
132.6 |
26.5 |
8.58 |
71.0 |
14.2 |
8.38 |
81.2 |
16.2 |
24 |
0.161 |
492 |
98.4 |
4.41 |
279.5 |
55.9 |
5.89 |
205.5 |
41.1 |
5.97 |
201.3 |
40.3 |
8.23 |
88.3 |
17.7 |
7.92 |
104.1 |
20.8 |
48 |
0.209 |
497 |
97.9 |
3.58 |
321.1 |
64.2 |
5.55 |
222.7 |
44.5 |
5.89 |
205.5 |
41.1 |
8.28 |
85.9 |
17.2 |
7.89 |
105.7 |
21.1 |
Kd (cm3g-1) |
- |
- |
40.1 |
- |
- |
13.4 |
||||||||||||
K0c (cm3g-1) |
- |
- |
614 |
- |
- |
986 |
||||||||||||
Table 6: Mass Balance Test Table
Soil |
Vrec (mL) |
Caqads(eq) (mg/L) |
m0 (μg) |
mE (μg) |
Mass balance rate (%) |
A soil/water = 1/50 |
50 |
5.55 |
500 |
203 |
96.1 |
B soil/water = 1/50 |
50 |
7.89 |
500 |
113 |
102 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
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