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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
November 16 – December 11, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Composition: Benzenesulfonic acid, 2,4,5-trichloro-, sodium salt – 100%
CAS# 53423-65-7
EC# 258-548-3
Physical Description: White powder
Stability: Test substance was expected to be stable for the duration of testing.
Expiration Date: December 31, 2018
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-2
Temp.:
20 °C
pH:
5.56

VolumeRatio

(n-octanol:water)

 

Vessel

#

 

Phase1

 

DilutionFactor

 

Avg.Counts

 

Mean

 

Pow

 

LogPow

 

Avg.LogPow

 

 

 

 

1:1

 

 

1

O

1

22000

22624

 

1.013x10-2

 

 

-1.99

 

 

 

 

-2.00

23248

W

41

54054

54470

54886

 

 

2

O

1

22107

22641.5

 

1.010x10-2

 

 

-2.00

23176

W

41

55360

54702

54044

 

 

 

 

2:1

 

 

3

O

1

21958

22571

 

0.987x10-2

 

 

-2.01

 

 

 

 

-2.00

23184

W

41

55944

55768.5

55593

 

 

4

O

1

22094

22892.5

 

1.017x10-2

 

 

-1.99

23691

W

41

55025

54885

54745

 

 

 

 

1:2

 

 

5

O

1

22388

23147.5

 

1.018x10-2

 

 

-1.99

 

 

 

 

-2.00

23907

W

41

55203

55438

55673

 

 

6

O

1

22880

23312

 

0.986x10-2

 

 

-2.01

23744

W

41

57902

57672.5

57443

 

MeanResult

 

-2.00±

0.00

Conclusions:
The partition coefficent (Log Pow) was determined to be -2.00.
Executive summary:

In a GLP guideline study conducted according to OPPTS 830.7550, OECD TG 107, and EC method A8, the partition coefficient (Log Pow) was determined to be -2.00.

Description of key information

The partition coefficent (Log Pow) was determined to be -2.00.

Key value for chemical safety assessment

Log Kow (Log Pow):
-2
at the temperature of:
20 °C

Additional information