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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Calculation
Qualifier:
no guideline required
Principles of method if other than guideline:
ACD Labs Calculation Software V9.04
GLP compliance:
no
Type of method:
other: ACD Labs Calculation Software V9.04
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
6.92
Temp.:
25 °C
Remarks on result:
other: Calculation, so no pH.
Conclusions:
The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide Log Kow is 6.92 at 25°C.
Executive summary:

Calculated using Advanced Chemistry Development (ACD/Labs) Software V9.04:

The partition coefficient octanol/water is 6.92 at 25°C.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1992
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Similar method to OECD 107 was used, no identity data.
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
not specified
GLP compliance:
not specified
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
6.53
Remarks on result:
other: Handbook. no temperature or pH mentioned
Conclusions:
The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide Log Kow i is 6.53.
Executive summary:

According to reported method similar to OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method:

The partition coefficient octanol/water is 6.53.

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Calculation
Qualifier:
no guideline required
Principles of method if other than guideline:
KOWWIN 2000 Calculation model
GLP compliance:
no
Type of method:
other: KOWWIN 2000 Calculation model
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
7.56
Temp.:
25 °C
Remarks on result:
other: Calculation, so no pH.
Details on results:
Calculation, so no pH.
Conclusions:
The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide is 7.56 at 25°C.
Executive summary:

According to this calculation, The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide is 7.56 at 25°C.

Description of key information

The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide Log Kow is 7.0.

Key value for chemical safety assessment

Log Kow (Log Pow):
7
at the temperature of:
25 °C

Additional information

Weight of evidence is applied:

KOWWIN, 2000, calculation: Log Kow is 7.56 at 25°C

ACD Labs model,2009, calculation: Log Kow is 6.92 at 25°C.

Chemicals Inspection and Testing Institute, Japan, 1992, handbook, Log Kow is 6.53.