Alkanes, C10-13-iso-

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 Nov 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

GLP guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

GLP compliance:

yes (incl. QA statement)

Remarks:

LUBW Landesanstalt für Umwelt, Messungen und Naturschutz Baden-Württemberg, Karlsruhe, Germany

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

other: calculation method

Key result

Type:

log Pow

Partition coefficient:

> 5

Remarks on result:

other: Calculation method, pH and temperature not relevant

Results
Table 1 – n-Octanol Solubility

Test item [mg]	Total volume of ultra-pure water [mL]	Time of shaking [min]	Remarks	Approx. solubility [mg/L]
1004.20	1.00	10	Test item completely dissolved	>1000

 

The water solubility was determined in study 4.8. and is shown in Table 2.

Table 2 – Solubility in ultra-pure water

Test item [mg]	Total volume of ultra-pure water [mL]	Time of shaking [min]	Remarks	Approx. solubility [mg/L]
8.900	200	10	Test item is not dissolved	-
	300
	400
	500
	1000
		1140
		5760		< 10

 

Estiamted log Pow
The partition coefficient was estimated from the ratio of the solubility of the test item in the pure solvents. The water solubility of the test item was determined in study 4.8 to be < 10 mg/L at ambient temperature.

P_estimate= c_n-octanol/ c_water

As the solubility of the test item in pure water is < 10 mg/L and in n-octanol > 1000 g/L the estimated partition coefficient was calculated to be Pow > 100000 or log Pow > 5.

 

Conclusion
The aim of this study was the determination of the partition coefficient n-octanol/ water of the test item. The solubility of the test item in n-octanol was determined by visual approach, as the test item is a UVCB substance. The water solubility of the test item was determined in study 4.8. The partition coefficient was estimated as ratio between solubility in n-octanol and the water solubility.

The estimation of the partition coefficient by using the solubility of the substance in the pure solvents is described in Appendix of EC method A.8. and OECD guideline 107. The n-octanol solubility was determined to be much higher than the water solubility of the test item. The solubility in n-octanol of the test item was determined at a temperature of 20.1 °C under atmospheric pressure, The result is given in the following table.

Solubility of test item in n-octanol at 20.1 °C

Temperature [°C]	20.1
Solubility [g/L]	>1000

 

The determined water solubility from 4.8 is given below

Temperature [°C]	ambient
Solubility [g/L]	< 10

 

The resulting estimated partition coefficient was calculated to be Pow > 100000 or log Pow > 5.

Conclusions:

Log Pow > 5 (Calculation, EU Method A.8)

Executive summary:

Log P_ow > 5 (Calculation, EU Method A.8)

Description of key information

There is data available for this substance, which is presented in the dossier.

The log partition co-efficient of Alkanes, C10-13, iso- is reported to be > 5 (Calculation, EU Method A.8)