## FINAL REPORT

Study Title



## DETERMINATION OF PHY SICO

- CHEMICAL PROPERTIES OF

EXP1313100

 Validation of an analytical method

 Melting and boiling temperature

 Density

 Vapour pressure

 Surface tension

 Water solubility  Partition coefficient

 Flammability

 Self

- ignition temperature

 Hydrolysis as a function of pH

 Adsorption coefficient

Author

Test Facility

WIL Research Europe B.V.

Hambakenwetering 7

5231 DD ‘s

- Hertogenbosch

The Netherlands

Laboratory P roject Identification

Project 505730

Substance 205622/A

- Page 1 of 53

-EXP1313100 Project 505730

Final report

- Page 2 - 1. CONTENTS

1. CONTENTS

................................................................................................ ...................................... 2

2. STATEMENT OF GLP COM PLIANCE

............................................................................................. 5

3. QUALITY ASSURANCE ST ATEMENT

............................................................................................ 6

4. SUMMARY

................................................................................................ ........................................ 7

5. INTRODUCTION

.............................................................................................................................. 9

5.1. Preface

................................................................................................ ................................... 9

5.2. Aim of the study

...................................................................................................................... 9

5.3. Storage and retention of records and materials

..................................................................... 9

6. MATERIALS

................................................................................................ ................................... 10

6.1. Test substance

.................................................................................................................... 10

6.2. Electronic data capture

........................................................................................................ 10

6.3. List of deviations

.................................................................................................................. 10

7. VALIDATION OF AN ANA LYTICAL METHOD

.............................................................................. 11

7.1. Guideline

.............................................................................................................................. 11

7.2. Reagents

............................................................................................................................. 11

7.3. Performance of the study

.................................................................................................... 11

7.4. Analytical method

................................................................................................................ 12

7.5. Formulas

.............................................................................................................................. 13

7.6. Results

................................................................................................ ................................ . 14

7.7. Conclusion

........................................................................................................................... 16

7.8. Figures

................................................................................................ ................................ . 17

8. MELTING AND BOILING TEMPERATURE

.................................................................................. 18

8.1. Guidelines

............................................................................................................................ 18

8.2. Performance of the test

....................................................................................................... 18

8.3. Analytical method

................................................................................................................ 19

8.4. I nterpretation

........................................................................................................................ 19

8.5. Results

................................................................................................ ................................ . 20

8.6. Conclusion

........................................................................................................................... 20

8.7. Figures

................................................................................................ ................................ . 21

9. DENSITY

................................................................................................ ....................................... 23

9.1. Guidelines

............................................................................................................................ 23

9.2. Performance of the study

.................................................................................................... 23

9.3. Calibration procedure

.......................................................................................................... 23

9.4. Interpretation

........................................................................................................................ 24

9.5. Results

................................................................................................ ................................ . 24

9.6. Conclusion

........................................................................................................................... 24

10. VAPOUR PRESSURE

................................................................................................................... 25

10.1. Guidelines

............................................................................................................................ 25

10.2. Performance of the test

....................................................................................................... 25

10.3. Analytical method

................................................................................................................ 25

10.4. Reference substances

......................................................................................................... 26

10.5. Interpretation

........................................................................................................................ 27

10.6. Results

................................................................................................ ................................ . 28

10.7. Conclusion

........................................................................................................................... 28

10.8. Figure s

................................................................................................ ................................ . 29

11. SURFACE TENSION

..................................................................................................................... 31

11.1. Guidelines

............................................................................................................................ 31

11.2. Statement

............................................................................................................................ 31

12. WATER SOLUBILITY

.................................................................................................................... 32

12.1. Guidelines

............................................................................................................................ 32

12.2. Reagen ts

............................................................................................................................. 32

12.3. Performance of the study

.................................................................................................... 32

12.4. Analytical method

................................................................................................................ 33

12.5. Interpretation

........................................................................................................................ 34

12.6. Results

................................................................................................ ................................ . 35

12.7. Conclusion

........................................................................................................................... 36EXP1313100 Project 505730

Final report

- Page 3 - 13. PARTITION COEFFICIEN T

........................................................................................................... 37

13.1. Guidelines

............................................................................................................................ 37

13.2. Reagen ts

............................................................................................................................. 37

13.3. Performance of the study

.................................................................................................... 37

13.4. Results

................................................................................................ ................................ . 38

13.5. Conclusion

........................................................................................................................... 38

14. FLAMMABILITY

............................................................................................................................. 39

14.1. Guidelines

............................................................................................................................ 39

14.2. Perfor mance of the study

.................................................................................................... 39

14.3. Interpretation

........................................................................................................................ 39

14.4. Results

................................................................................................ ................................ . 39

14.5. Conclusion

........................................................................................................................... 39

15. SELF

- IGNITION TEMPERATURE

................................................................................................ 40

15.1. Guidelines

............................................................................................................................ 40

15.2. Performance of the test

....................................................................................................... 40

15.3. Interpretation

........................................................................................................................ 40

15.4. Re sults

................................................................................................ ................................ . 40

15.5. Conclusion

........................................................................................................................... 40

15.6. Figures

................................................................................................ ................................ . 41

16. HYDROLYSIS AS A FUNC TION OF PH

....................................................................................... 42

16.1. Guidelines

............................................................................................................................ 42

16.2. Reagents

............................................................................................................................. 42

16.3. Buffer solutions

.................................................................................................................... 42

16.4. Performance of the study

.................................................................................................... 42

16.5. Analytical method

................................................................................................................ 43

16.6. Interpretation

........................................................................................................................ 44

16.7. Results

................................................................................................ ................................ . 45

16.8. Conclusion

........................................................................................................................... 46

17. ADSORPTION COEFFICIE NT

...................................................................................................... 47

17.1. Guidelines

............................................................................................................................ 47

17.2. Reagen ts

............................................................................................................................. 47

17.3. Performance of the study

.................................................................................................... 47

17.4. Analytical method

................................................................................................................ 48

17.5. Formulas

.............................................................................................................................. 49

17.6. Results

................................................................................................ ................................ . 50

17.7. Conclusion

........................................................................................................................... 51

17.8. Figures

................................................................................................ ................................ . 52EXP1313100 Project 505730

Final report

- Page 4 - TABLES

Table 1 Statistical parameters of the calibration curve

............................................................. 14

Table 2 Accuracy samples

........................................................................................................ 15

Table 3 Stability of the analytical system and end solutions

.................................................... 15

Table 4 Stability of stock solutions

............................................................................................ 15

Table 5 Stored accuracy samples

............................................................................................ 16

Table 6 Density of the test substance

....................................................................................... 24

Table 7 Results of the isothermal TGA analysis

....................................................................... 28

Table 8 Vapour pressure of the test substance

........................................................................ 28

Table 9 Main study

- water solubility of the test substance

...................................................... 35

Table 10 Preliminary test

- hydrolysis of the test substance at pH 4, pH 7 and pH 9

................ 45

Table 11 Recoveries

................................................................................................................... 46

Table 12 K

oc of the test substance

.............................................................................................. 50

FIGURES

Figure 1 UPLC

- MS/MS chromatogram of a 250 μg/L test substance solution [res. id. 472].

.... 17

Figure 2 UPLC

- MS/MS chromatogram of the blank accuracy sample [res. id. 270].

................ 17

Figure 3 Regression line: response of the test substance as a function of concentration.

....... 17

Figure 4 TGA curve of the test substance.

................................................................................ 21

Figure 5 DSC curve of the test substance obtained with Experiment 1.

.................................... 21

Figure 6 DSC curve of the test substance obtained during heating with Experiment 2.

............ 22

Figure 7 Weight loss curve of the test substance.

..................................................................... 29

Figure 8 Weight loss curve of hexachlorobenzene.

................................................................... 29

Figure 9 Plot of log P T of the test substance versus 1/T.

........................................................... 30

Figure 10 Plots of the oven temperature and sample temperature versus time.

......................... 41

Figure 11 UPLC chromatograms of the 220 mg/L test solution [top; res. id. 1260] and

corresponding blank [bottom; res. id. 1259].

............................................................... 52

Figure 12 The regression line of the reference substances: log k’ versus log K

oc . ...................... 52

AP PE NDICES

Appendix 1 Certificate of analysis

................................................................................................... 53EXP1313100 Project 505730

Final report

- Page 7 - 4. SUMMARY

The results of the physico

- chemical properties of the test substance are given below.

Parameter Guideline(s) Result Comment

Analytical method S ANCO 3029 successfully validated

Melting temperature EC A.1

OECD 102

OPPTS 830.7200 no melting temperature Slight decomposition

of the test substance

was observed

starting at 150°C

( 423K)

Boiling temperature EC A.2

OECD 103

OPPTS 830.7220 no boiling temperature Slight decomposition

of the test substance

was observed

starting at 150°C

(423K)

Density EC A.3

OECD 109

OPPTS 830.7300 20

4 

### D : 1.0 1 gas comparison

pycnometer

Vapour pressure EC A.4

OECD 104

OPPTS 830.7950 20°C < 1.5 × 10 - 3 Pa =

< 1.1 × 10 -5 mm Hg

25°C < 9.6 × 10 -3 Pa =

< 7.2 × 10 -5 mm Hg isothermal TGA

e ffusion method

Surface tension EC A.5

OECD 115 not required water solubility was

< 1 mg /L

Water solubility EC A.6

OECD 105

OPPTS 830.7840 0.02 mg /L at 20°C by the

column elution

method

Partition coefficient EC A.8

OECD 107

OPPTS 830.7550 log P

ow : > 7. 7 at 20°C by the

estimation method

Flammability EC A.10

UN N.1 not highly flammable

Self

- ignition temperature EC A.16 not self

- ignitableEXP1313100 Project 505730

Final report

- Page 8 -

Hydrolysis as a function of

pH EC C.7

OECD 111

OPPTS 835.2120 T he hydrolysis half

lifetimes cannot be

determined.

Adsorption coefficient EC C.19

OECD 121 log K

oc : 4.45

(major component) HPLC method based

on soil

- adsorption

reference data