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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:
2017-05-11 to 2017-05-26
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Name: Vinylcyclohexan
CAS No.: 695-12-5
Batch No.: VCH/7/17K1
Purity: 99.8 % (GC)
Description: clear liquid
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
5.01
Temp.:
20 °C
Remarks on result:
other: pH not reported.
Details on results:
Results:
For all analytes the RID signals were evaluated except for DDT. Therefore, the retention time of the DAD signal for DDT was corrected by the retention time difference between the DAD and RID. The measured retention times tR and the capacity factors k, given by the following expression [k = (tR - t0,mean)/ t0,mean], of the reference substances are shown below:

Name log Pow tR mean tR RSD k mean K RSD log k
(lit.) (n=6) [min] [%] (n=6) [-] [%] [-]
Formamide - 0,56 0,10 - - -
Benzene 2,1 1,11 0,12 0,96 0,25 -0,02
Toluene 2,7 1,51 0,15 1,68 0,24 0,23
Ethylbenzene 3,2 2,06 0,18 2,64 0,25 0,42
Isopropylbenzene 3,7 2,75 0,20 3,88 0,25 0,59
1,2,4-Trichlorbenzene 4,2 3,37 0,19 4,98 0,23 0,70
DDT 6,5 13,42 0,57 22,77 0,59 1,36

Sample no. 3612/17 was analysed in triplicate and resulted a mean log P ow value of 5.0 ± 0.01 (Table below). This value is within the range of the used reference substances and was interpolated by linear regression.

RUN

tR

k

log k

log Pow

#

[min]

[-]

[-]

[-]

1

5,43

8,63

0,94

5,00

2

5,48

8,71

0,94

5,01

3

5,45

8,66

0,94

5,01

Mean

5,46

8,67

0,94

5,01

SD

0,02

0,04

0,002

0,007

RSD [%]

0,41

0,46

0,21

0,13

Conclusions:
The log Pow of the test item vinylcyclohexane (CAS 695-12-5) is 5.
Executive summary:

The determination of the partition coefficient (n-octanol/water) of the test item vinylcyclohexane was conducted via HPLC-DAD/RID according to OECD117. The log Pow is 5.

Description of key information

The determination of the partition coefficient (n-octanol/water) of the test item vinylcyclohexane was conducted via HPLC-DAD/RID according to OECD117. The log Pow is 5.

Key value for chemical safety assessment

Log Kow (Log Pow):
5
at the temperature of:
20 °C

Additional information