Registration Dossier
Registration Dossier
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EC number: 304-990-8 | CAS number: 94313-91-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: generally accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation of the partition coefficient by means of ACD Percepta software
- GLP compliance:
- no
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- -0.73
- Temp.:
- 25 °C
- pH:
- >= 5 - <= 7
- Remarks on result:
- other: pH is based on the pH of the substance itself, as reported in the available safety data sheet. The pH is not reported in the study report
- Conclusions:
- The log P of the substance was determined to be -0.73 by using a calculation method.
- Executive summary:
The log P of the substance was determined by using the software ACD percepta Release 14.0.0 (Build 2726 27 Nov 2014). A value of -0.73 at 25 °C was obtained.
Reference
log P consensus: -0.73 = 0.43 x log P classic + 0.57 x log P Galas
The result is based on experimental results for the following most similar molecules from the built in data base:
| Compound | log P (used in model) | Similarity index |
| Tri-n-butylmethylammonium | 0.26 | 0.87 |
| Cyclopentanaminium, N, N, N, 2 -tetramethyl | -1.5 | 0.87 |
| 1-Propanaminium, N-methyl-N,n-dipropyl- | -0.98 | 0.85 |
| Ammonium, trimethyl-3 -phenylpropyl- | -2.02 | 0.81 |
| Tetraethylammonium | -3.15 | 0.81 |
Description of key information
The log P of the substance was determined to be -0.73 by using a calculation method.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.73
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
