Reaction mass of 4-Vinylcyclohexene, Cyclododeca-1,5,9-triene (1Z,5E,9E) and Cycloocta-1,5-diene

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:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

no

Other quality assurance:

other: Level of detail such as GLP

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

(1E,5E,9E)-cyclododeca-1,5,9-triene; (1Z,5Z)-cycloocta-1,5-diene; 4-ethenylcyclohex-1-ene

EC Number:

940-766-1

Molecular formula:

unspecified

IUPAC Name:

(1E,5E,9E)-cyclododeca-1,5,9-triene; (1Z,5Z)-cycloocta-1,5-diene; 4-ethenylcyclohex-1-ene

Test material form:

liquid

Results and discussion

Water solubility

Water solubility 1

Water solubility:

104 mg/L

Loading of aqueous phase:

1 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 6.1 - <= 6.3

Water solubility 2

Water solubility:

255 mg/L

Loading of aqueous phase:

10 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 6.1 - <= 6.3

Any other information on results incl. tables

Individual Results

 

Sample	m(test item) [mg]	V(water) [ml]	pH	c(test item; single values) [mg/l]	c(test item; mean) [mg/l]
Water used			6.0
1 / 24 h	233.67	250	6.1	108	107
				107
				107
				107
3 / 48 h	247.35	250	6.2	109	107
				106
				108
				103
5 / 72 h	231.95	250	6.3	103	99
				105
				94
				94
2 / 24 h	2390.99	250	6.2	285	283
				284
				283
				279
4 / 48 h	2553.75	250	6.2	281	280
				274
				281
				283
6 / 72 h	2379.86	250	6.3	202	200
				204
				202
				202
Mean of all singles values ± std. dev. for samples with 1 g/l				104 ± 5 mg/l
Mean of all singles values ± std. dev. for samples with 10 g/l				255 ± 39 mg/l

 

 

Result

The solubility in water is not a constant, but increases with the mass of test item applied in the experiment. This is due to the test item being a mixture of different constituents rather than a single compound. Every constituent contributes to a different degree to overall solubility, depending on its own individual solubility and its mass fraction in the test item. Therefore, results depend on the proportions of test item and water used in the respective experiment.

 

At 20.0 °C ± 0.5 °C, the following solubilities were found:

104 mg/L ± 5 mg/L for tests with 1 g/L

255 mg/L ± 39 mg/L for tests with 10 g/L.