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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018-02-06 - 2018-03-14
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study without detailed documentation
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
equivalent or similar to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
not specified
Key result
Type:
log Pow
Partition coefficient:
1.53
Temp.:
20 °C
pH:
7
Details on results:
The weight of the test substance, the volume of each phase employed in each test vessel and the total calculated amount of test substance present in each phase after equilibration are presented in Table. The concentrations of n-octanol and water were calculated based on the density measurements, where the density of water at 20 oC is 1.00 g/mL while, the density of n-octanol at the same conditions is 0.824 g/mL. The partition coefficients were calculated in reference to these numbers and presented in Table.

Table: Partition Coefficients Results

Funnel #  Water [mL]  Octanol [mL]  Phase  V.F. [mL]  w [g]  ρ [g/mL]  Co/Cw  lg Pow

 1

 75

 25

 Water

 20

 19.8852

 0.994

 0.028

 1.56

 19.8565

 0.993

 0.035

 1.46

 19.7550

 0.988

 0.062

 1.21

 n-Octanol

 16.6240

 0.831

 19.3

 1.29

 2

 50

 50

 Water

 25

 24.7552

 0.990

 0.049

 1.31

 10

 9.9287

 0.993

 0.035

 1.46

 n-Octanol

 20

 16.5422

 0.827

 45.8

 1.66

 16.5024

 0.825

 128.7

 2.11

 3

 25

 75

 Water

 19.8706

 0.994

 0.031

 1.50

 n-Octanol

 16.5986

 0.830

 23.6

 1.37

 16.5751

 0.829

 29.7

 1.47

 16.5116

 0.826

 91.0

 1.96

w: Weight of each sample collected from different phases of separation (i.e. water-rich phase or octanol-rich phase)

V.F.: Volume of the volumetric flasks where the samples were collected.

ρ: Density of the collected samples based on the volumes of the volumetric flasks and the measured weight of the liquid samples.

Co, Cw: Concentrations of n-octanol and water by weight respectively in each separated phase.

Pow: Partition coefficient = Co/Cw

Conclusions:
Partitions coefficients is lg Pow = 1.53
Executive summary:

Partition coefficient of the test-sample (Test material is used as aqueous solution for this test, because only the aqueous solution of the test material is manufactured and marketed.) was determined with the shake-flask method (based on OECD guideline 107 and EU method A.8) at a temerature of 20 °C. Partitions coefficients is lg Pow = 1.53

Description of key information

Partition coefficient of the test-sample (Test material is used as aqueous solution for this test, because only the aqueous solution of the test material is manufactured and marketed.) was determined with the shake-flask method (based on OECD guideline 107 and EU method A.8) at a temerature of 20 °C. Partitions coefficients is lg Pow = 1.53

Key value for chemical safety assessment

Log Kow (Log Pow):
1.53
at the temperature of:
20 °C

Additional information