Chlorinated Fatty Acid Methyl Ester

Vapour pressure

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

Test material information

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.