Cyclopentane

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Study period:

17 Jan 2014 - 19 March 2014

Reliability:

1 (reliable without restriction)

Justification for type of information:

A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.

Reason / purpose for cross-reference:

read-across: supporting information

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4

Temp.:

25 °C

pH:

6.6

Key result

Type:

Pow

Partition coefficient:

9 930

Temp.:

25 °C

pH:

6.6

Conclusions:

The partition coefficient of the test item has been determined to be 9.93 x 10^3 (log Pow 4.00).

Executive summary:

The partition coefficient of the test item has been determined to be 9.93 x 10^3 (log Pow 4.00).

Reference 2

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Up to 2008

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: No data on GLP/guideline compliance but handbook is peer reviewed and considered a reliable source.

Guideline:

other: Unknown if guideline was used for this study

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:

Not reported

Type of method:

other: Not reported

Partition coefficient type:

octanol-water

Analytical method:

not specified

Key result

Type:

log Pow

Partition coefficient:

3

Temp.:

25 °C

pH:

7

Remarks on result:

other: pH not stated, therefore assumed standard

Conclusions:

The log Kow of cyclopentane was reported as 3.

Executive summary:

There is no available information on the methods used to determine the value for this endpoint. However, this information is taken from the CRC Handbook which is considered to be a reliable peer reviewed handbook and suitable for use as the key study for this endpoint. Therefore cyclopentane has a log Kow of 3.

Reference 3

Endpoint:

partition coefficient

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Study period:

up to 2008

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Source is a published handbook, no data on GLP/guideline compliance/method. Acceptable with restriction as handbook is peer reviewed and considered a reliable source.

Justification for type of information:

A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.

Reason / purpose for cross-reference:

read-across: supporting information

Guideline:

other: Unknown if guideline was used for this study

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:

Not reported

Type of method:

other: No method was reported

Partition coefficient type:

octanol-water

Analytical method:

not specified

Key result

Type:

log Pow

Partition coefficient:

3.45

Temp.:

25 °C

pH:

7

Remarks on result:

other: pH not stated, therefore assumed standard

Details on results:

No further details reported

Conclusions:

The Log Kow of n-pentane is 3.45

Executive summary:

There is no available information on the methods used to determine the value for this endpoint. However, this information is taken from the CRC Handbook which is considered to be a reliable peer reviewed handbook and suitable for use as the key study for this endpoint. Therefore the Log Kow of n-pentane is 3.45.

Description of key information

There is data available for this substance. Additionally, key data is available for structural analogues: 2 -methylbutane and Pentane. The data is read across to this substance based on analogue read across and a discussion and report on the read across strategy is provided as an attachment in IUCLID Section 13.

The log partition co-efficient of 2-methylbutane is reported to be 4.0.

The log partition co-efficient of Cyclopentane is reported to be 3.0

The log partition co-efficient of Pentane is reported to be 3.45.

Additional information

The information available is based on standard guidelines and peer reviewed handbook data, both considered reliable for assessment.