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EC number: 230-555-6 | CAS number: 7189-82-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 10 May 2017 to 30 November 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole
- EC Number:
- 230-555-6
- EC Name:
- 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole
- Cas Number:
- 7189-82-4
- Molecular formula:
- C42H28Cl2N4
- IUPAC Name:
- 2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-2'H-1,2'-biimidazole
- Test material form:
- solid: crystalline
- Details on test material:
- Appearance: Yellow crystalline powder
Test item storage: At room temperature
Stable under storage conditions until: 01 February 2018 (expiry date)
Constituent 1
Study design
- Analytical method:
- other: not applicable
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.6
- Temp.:
- 35 °C
- pH:
- 9
- Details on results:
- The Pow of the substance was calculated to be 2.9 ± 1011 (log Pow 11.46) using the Rekker calculation method.
The pKa Values of the substances
Acidic Basic
none RC6H5C=NH2+ pKa 5.97
RC6H5C=NH2+ pKa 5.36
1-SUBST.-IMIDAZOLE pKa 3.05
regression line of reference substances: log k’ = 0.280 ´ log Pow – 0.740 (r = 0.997, n = 14)
Any other information on results incl. tables
Substance |
Retention time (min) |
log Pow |
Pow |
||
tr,1 |
tr,2 |
mean |
|||
Formamide (t0) |
0.625 |
0.627 |
0.626 |
|
|
1,4-Dichlorobenzene |
1.648 |
1.642 |
|
3.4 |
|
Biphenyl |
2.088 |
2.079 |
|
4.0 |
|
1,2,4-Trichlorobenzene |
2.455 |
2.444 |
|
4.2 |
|
Dibenzyl |
3.132 |
3.115 |
|
4.8 |
|
Triphenylamine |
5.144 |
5.122 |
|
5.7 |
|
4,4’-DDT |
7.229 |
7.193 |
|
6.5 |
|
Benzo[ghi]perylene |
13.669 |
13.661 |
|
7.2 |
|
Test item – peak 1 |
15.402 |
15.524 |
15.463 |
7.6 |
3.6E7 |
Applicant's summary and conclusion
- Conclusions:
- The logPow of the substance is 7.6.
- Executive summary:
Using the column elution method, the logPow of the substance was determined to be 7.6.
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