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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Adopted according to BUA report (public available peer reviewed source)
Reason / purpose for cross-reference:
reference to other study
Qualifier:
no guideline followed
Principles of method if other than guideline:
Public available peer reviewed source. In order to determine the octanol-water coefficient the calculation/correlation methods (indirect methods) have been used.
GLP compliance:
not specified
Type of method:
other: calculation/correlation methods
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
ca. 2.855
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 2.81
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 2.83
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 2.84
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 2.86
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 2.8
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 2.46
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.

Temperature and pH not reported

Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:

-calculated according to Leo                                   2.855

-calculated according to Rekker                               2.81

-calculated according to Nys & Rekker                    2.83

-calculated (THOR database)                                   2.84

-calculated according to Leo                                    2.86

- calculated according to Leathy                                2.80

- shaking method                                                       2.84

-shaking method                                                        2.46

-shaking method at 20°C                                          2.84

Executive summary:

BUA report 54, 1990


Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:


-calculated according to Leo                                   2.855


-calculated according to Rekker                              2.81


-calculated according to Nys & Rekker                   2.83


-calculated (THOR database)                                   2.84


-calculated according to Leo                                    2.86


- calculated according to Leathy                              2.80


- shaking method                                                       2.84


-shaking method                                                        2.46


-shaking method at 20°C                                          2.84

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Adopted according to BUA report (public available peer reviewed source)
Reason / purpose for cross-reference:
reference to other study
Qualifier:
no guideline followed
Principles of method if other than guideline:
Public available peer reviewed source. In order to determine octanol-water partition coefficient, experimental methods (direct methods: shaking, column chromatographic method and HPLC, slow stirring method) have been used.
GLP compliance:
not specified
Type of method:
other: direct methods: shaking, column chromatographic method and HPLC, slow stirring method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
ca. 2.98
Temp.:
25 °C
Remarks on result:
other: pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 3
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 2.898
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.
Type:
log Pow
Partition coefficient:
ca. 3.79
Remarks on result:
other: Temp expected ca 20-25°C, and pH unspecified.

Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:


-column chromatographic method and HPLC (25°C)   2.98 +-0.02


-RP-HPLC method (25°C)                                        2.98 +-0.04


- RP-HPLC method                                                  3.00


- slow stirring method                                                2.898 +-0.004


-method not given                                                     3.79

Executive summary:

BUA report 54, 1990, part 2

Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:

-column chromatographic method

and HPLC (25°C)                                                 2.98 +-0.02

-RP-HPLC method (25°C)                                      2.98 +-0.04

- RP-HPLC method                                                3.00

- slow stirring method                                                2.898 +-0.004

-method not given                                                     3.79

Description of key information

According to literature (BUA report, 1990; secondary source),
Chlorobenzene n-Octanol/water partition coefficients , log Pow are listed below:
- calculated according to Leo                                   2.855
- calculated according to Rekker                              2.81
- calculated according to Nys & Rekker                   2.83
- calculated (THOR database)                                   2.84
- calculated according to Leo                                    2.86
- calculated according to Leathy                              2.80
- shaking method                                                        2.84
- shaking method                                                        2.46
- shaking method at 20°C                                          2.84
- column chromatographic method and HPLC (25°C)    2.98 +-0.02
- RP-HPLC method (25°C)                                         2.98 +-0.04
- RP-HPLC method                                                     3.00
- slow stirring method                                                2.898 +-0.004
- method not given                                                     3.79


 





The substance has LOW potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow <4 ).




Key value for chemical safety assessment

Log Kow (Log Pow):
3
at the temperature of:
20 °C

Additional information

Several literature sources were available and provide partition coefficient values for the substance, ranging between 2,18 and 3,79; temperature, when provided is ca 20-25°C, pH is not specified in any source. The BUA report, considered as a reliable source and gathering most of sources, with both indirect (calculation) and direct methods, was chosen as key study. The worst-case value of 3,00 (discarding the unknown method data) is retained as key value.