Thermal cracking oil from blends of rubber, fuel oils and paraffin waxes, steam distillation concentrate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

other: Expert Assessment

Adequacy of study:

key study

Study period:

19 August 2019

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: This assessment is based on an examination of the functionality within the substance Thermal cracking oil from blends of rubber, fuel oils and paraffin waxes, steam distillation condensate and on predictive models

Qualifier:

no guideline required

Principles of method if other than guideline:

An evaluation was undertaken to determine the partition co-efficient of Thermal cracking oil from blends of rubber, fuel oils and paraffin waxes, steam distillation condensate.Chemical analysis revealed that the substance is a highly complex UVCB comprising predominantly 1 -ring aromatic and olefinic constituents. Thereforen the assessment was based on an examination of the chemical functionalities within the substance and on predictive models
- Software tool(s) used including version: EPI Suite v4.1
- Model(s) used: KOWWIN v1.67

GLP compliance:

no

Type of method:

other: Expert assessment based on examination of the chemical functionality within the substance and on predictive models

Partition coefficient type:

octanol-water

Key result

Type:

log Pow

Partition coefficient:

>= 1.24 - <= 4.83

Temp.:

20 °C

pH:

7

Remarks on result:

other:

Remarks:

EPISuite calculation: no data provided on temperature and pH to be included under "Results and discussions

Predicted partition co-efficient (log Kow) ranges and associated concentrations of relevant constituents (≥ 0.50 area %)

Predicted log Kow range	Concentration of relevant constituents (area %)
4.00 - 4.99	17.53
3.00 - 3.99	54.23
2.00 - 2.99	22.03
1.00 - 1.99	2.51

Conclusions:

Log Kow values were calculated for the majority of constituents of Thermal cracking oil from blends of rubber,fuel oils and paraffin waxes, steam distillation condensate. The predicted values fell into the log Kow range of 1.24 to 4.83 with the majority of constituents sitting within the 3.00 to 3.99 log Kow range.

Executive summary:

An assessment was performed to establish the partition co-efficient of Thermal cracking oil from blends of rubber, fuel oils and paraffin waxes, steam distillation condensate through examination of its molecular structure and functionality. Constituents were divided into four groups that include alkanes and cycloalkanes (6.17 area %), olefins and cyclic olefins (39.81 area %), 1-ring aromatic hydrocarbons (57.10 area %) and ‘other constituents’ (3.20 area %). Using the Estimation Program Interface (EPI) Suite Version 4.1, the partition co-efficient of the constituents were estimated. The calculated log Kow values were grouped into four ranges. Relevant constituent concentrations were combined in order to establish the proportion of the substance falling into the identified log Kow ranges. The largest proportion of the evaluated constituents (54.23 area %) was found to be sitting within the 3.00 to 3.99 log Kow band. Although log Kow values were not calculated for a minor portion of the constituents identified in the substance, based on the assessment of their structure and given their similarity to the substances described, these constituents are expected to fall into the log Kow range identified for the majority of constituents (1.00 -4.99) covered by this assessment. It is important to highlight that for a small portion of the assessed constituents (4.47 area %) log Kow exceeded the log Kow = 4.50 threshold. Substances with log Kow greater than 4.50 have a potential to bioaccumulate due to their intrinsic hydrophobicity. In conclusion, Log Kow values were calculated for the majority of constituents of Thermal cracking oil from blends of rubber, fuel oils and paraffin waxes, steam distillation condensate. The predicted values fell into the log Kow range of 1.24 to 4.83 with the majority of constituents sitting within the 3.00 to 3.99 log Kow range.

Description of key information

Log Kow values were calculated for the majority of constituents of Thermal cracking oil from blends of rubber,fuel oils and paraffin waxes, steam distillation condensate . The predicted values fell into the log Kow range of 1.24 to 4.83 with the majority of constituents sitting within the 3.00 to 3.99 log Kow range.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.83

at the temperature of:

25 °C

Additional information

For the purpose of of classification and chemical safety assessment the enpoint conclusion attained for the Partition co-efficient may be regarded as a key value. A Klimisch score of 2 (reliable with restrictions) has been recommended given that the endpoint value was determined by expert assessment.