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Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
This substance is not volatile and is subject to decomposition at elevated temperatures. It is not possible to measure the vapour pressure of this substance using standard methods. A calcuation method, using an accepted model, was used instead.

Data source

Reference
Reference Type:
other: modelled data
Title:
EPISUITE v4.11 Modelling of C18 Chlorinated Fatty Acid Methyl Esters
Author:
U.S. EPA
Year:
2021
Bibliographic source:
U.S. EPA
Report date:
2021

Materials and methods

Principles of method if other than guideline:
Modelled data using EPA's EPISUITE v. 4.11
GLP compliance:
no
Type of method:
other: modelled data

Test material

Constituent 1
Reference substance name:
Methyl octadecanoate, chloro
Molecular formula:
C17H30Cl4COOCH3, C17H29Cl5COOCH3 , and C17H28Cl6COOCH3 (primary isomers based on 35-40% Cl by weight)
IUPAC Name:
Methyl octadecanoate, chloro
Specific details on test material used for the study:
Representative structure of the primary constituent in the commercial product.

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
>= 0 - <= 1.71 Pa
Remarks on result:
not measured/tested
Remarks:
modelled data
Transition / decomposition
Transition / decomposition:
yes
Remarks:
decompostion
Transition temp.:
263.64 °C
Remarks on result:
not determinable because of methodological limitations

Any other information on results incl. tables

This substance decomposes and thus a true vapor pressure cannot be determined. The vapour pressure (VP) results provided are from the EPISUITE v4.11 model. The lower end of the VP range (4.79xE-05 Pa) is based on an EPISUITE derived boiling point (BP) of 455.49 C. The upper end of the VP range (1.71 Pa) uses the decomposition temperature of 263.64 C as a BP input into the EPISUITE model. A decomposition temperature is not a true a boiling point, so this approach likely greatly overestimates the volatility of this substance.

Applicant's summary and conclusion

Conclusions:
Based on the EPISUITE v4.11 model, the VP is 4.79xE-05 Pa at 25 C. This substance decomposes and is not expected to volatilise in significant amounts.
Executive summary:

This substance decomposes and thus a true vapor pressure cannot be determined. The vapour pressure (VP) results provided are from the EPISUITE v4.11 model. The lower end of the VP range (4.79xE-05 Pa) is based on an EPISUITE derived boiling point (BP) of 455.49 C. The upper end of the VP range (1.71 Pa) uses the decomposition temperature of 263.64 C as a BP input into the EPISUITE model. A decomposition temperature is not a true a BP, so this approach likely greatly overestimates the vapour pressure of this substance. The lower end value will be used in the assessment.