Buta-1,3-diene

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: GLP non compliant, guideline not known, information from published handbook, acceptable with restrictions

Principles of method if other than guideline:

The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to the CRC Handbook of Chemistry and Physics states that data for physical constants have been taken from many sources, including both compilations and the primary literature. Where conflicts were found, the value deemed most reliable was chosen. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.

GLP compliance:

not specified

Remarks:

No data reported

Type of method:

other: No data reported

Partition coefficient type:

octanol-water

Key result

Type:

log Pow

Partition coefficient:

1.99

Temp.:

25 °C

pH:

7

Details on results:

pH not stated, but assumed to be 7.

Conclusions:

The log Kow of 1,3-butadiene is 1.99.

Executive summary:

The log Kow of 1,3-butadiene is 1.99. No information on the method used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint. In addition, this value is used in the EU RAR (2002) for 1,3-butadiene.

Reference 2

Endpoint:

partition coefficient

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: GLP status not known, guideline not known, information from a reliable peer-reviewed source and considered adequate for assessment.

Principles of method if other than guideline:

The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The International Chemical Safety Cards (ICSC) are produced by the WHOs International Programme on Chemical Safety (IPCS). The introduction to the ICSC states that they report “information collected, verified and peer reviewed by internationally recognized scientists”. Therefore, the values presented are acceptable as they are from a reliable secondary source of phys chem. data.

GLP compliance:

not specified

Type of method:

other:

Partition coefficient type:

octanol-water

Analytical method:

not specified

Key result

Type:

log Pow

Partition coefficient:

1.99

Details on results:

No further details

Conclusions:

The log Pow of 1,3-Butadiene is 1.99.

Executive summary:

The log Pow of 1,3-Butadiene is 1.99. No information on the test methods used is available in the ICSC. However, this information is taken from a peer reviewed source and so can be considered reliable and suitable for use as the supporting study for this endpoint.

Description of key information

The log Kow of 1,3-butadiene is 1.99 at 20 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):

1.99

at the temperature of:

20 °C

Additional information

The CRC Handbook is peer-reviewed and is considered reliable and suitable for use as the key study for this endpoint. In addition, this value is used in the EU RAR (2002) for 1,3-butadiene, and is supported by data from the peer reviewed International Chemical Safety Card, which shows the log Kow of 1,3 -butadiene to be 1.99.