Hexachloroacetone

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Report date:

2015

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Hexachloroacetone

EC Number:

204-129-5

EC Name:

Hexachloroacetone

Cas Number:

116-16-5

Molecular formula:

C3Cl6O

IUPAC Name:

hexachloropropan-2-one

Test material form:

other: liquid

Details on test material:

Batch number: 1HC1502005

Results and discussion

Water solubility

Water solubility:

17.5 g/L

Temp.:

20 °C

pH:

>= 0.7 - <= 1.1

Details on results:

Instrument: Total Chlorine Analyzer TOX-10Σ, Co. ABIMED
Sample weight: 5 – 20 mg, precision 0.1 mg
R-Factor: 1.000
Temperature: 950 °C
Delay-time: 200 sec
Gases and flow rate: Argon: 200 ml/min
Oxygen: 200 ml/min
Argon/Oxygen: 400 ml/min
Reference substance: 0.01 mol/l HCl, (355 mg/l Cl)
Solvent: deionized water

Any other information on results incl. tables

The Total Chlorine Analyzer TOX-10Σ consists of the following 3 main units: Boat controller with sample inlet, horizontal furnace, coulometer with titration cell. After the test sample is weighed in a quartz sample boat, it is first slowly combusted in the horizontal furnace part in argon gas flow. The complete combustion is performed in oxygen gas flow. The combustion gases (e.g. HCl in the case of organic chlorine compounds) are dehydrated and cleaned in a dehydrating tube and are directed into the coulometric titration cell with an argon/oxygen carrier. From the electric energy (Q) used for this titration, the quantity of chlorine is digitally indicated with chlorine-converted value (g-Cl) based on “Faraday’s Law”: m = M/n • Q/F

m: Quantity of chlorine (g)

n: Valence number changed at electrode (1)

M: Atomic mass of Cl (35.45)

F: Faraday constant (96487 Coulomb)

Q: Quantity of electricity (measured by the instrument)

Evaluation:

To check the analytical system a reference substance with known Cl content is measured.

Sample Preparation and Quantification:

After pre-incubation and re-equilibration the aqueous phase is separated from the undissolved test substance by centrifugation with 4500 rpm for 30 min. 3 aqueous test samples with the 3 different pre-incubation times of 24h, 48h and 72h resulted and the concentration of the test substance is measured by means of chlorine content as described above. For that purpose the separated aqueous solutions are diluted 1:40 with deionized water. The concentration of the test substance is calculated as follows:

CTS = CCl • 40 • (MTS / MCl)

CTS: Concentration test substance (mg/l)

CCl: Concentration chlorine (mg/l)

40: Dilution factor

MTS: Molecular mass of the test substance (264.73)

MCl: Molecular mass of total chlorine of the molecule (212.7)