Fatty acids, C16-18 and C18-unsatd., esters with propylene glycol

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

June 2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

QSAR prediction

Principles of method if other than guideline:

Calculation based on MPBPWIN v1.43, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

Type of method:

other: QSAR

Key result

Temp.:

25 °C

Vapour pressure:

< 0.001 Pa

Remarks on result:

other: given as 2.67 E-10 Pa

Modified Grain method. QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables”

Conclusions:

QSAR calculation with the main component 9 -Octadecenoic acid (Z)-, 1 -methyl-1,2 -ethanediyl ester shows significant lower vapour pressure (2.67 E-10 Pa at 25 °C), given as <0.001 Pa at 25 °C.

Reference 2

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

02 Mar - 07 Apr 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

GLP compliance:

no

Type of method:

dynamic method

Key result

Temp.:

20 °C

Vapour pressure:

<= 0.1 Pa

Temp.:

50 °C

Vapour pressure:

<= 1.7 Pa

The test item has a vapour pressure of ≤1.0*10 ^-6 atm ( ≤1.1*10 ^-1 Pa; ≤1.1*10 ^-3 mbar) at 20 °C and of ≤1.6*10 ^-5 atm ( ≤1.7 Pa; ≤1.7*10 ^-2 mbar) at 50 °C (the calculation is based on the lowest possible boiling temperature) according to the definition in the OECD Guideline 104 (Grain-Watson estimation).

The experimentally determined vapour pressure of the test item at 20 °C (according to DSC diagrams) is not in the recommended range of 1 to 1000 mbar for DSC measurements.

Therefore an estimation procedure in accordance with the test method OECD Guideline 104 "OECD Guideline For The Testing Of Chemicals, adopted by the Council on 23^rd March 2006, Vapour pressure" ANNEX Estimation Method newest version (Robert S. Boethling, Donald Mackay, Handbook of Property Estimation Methods for Chemicals, Lewis Publishers, year of publication 2000, Cap. 3 - Vapour Pressure, Grain-Watson Method, p. 53 -65) was used. This method is applied for vapour pressures between 10³ and 10 ^-7 mbar.

This deviates from the older version published in OECD Guideline 104. It was used due to the differentiation between solids and liquids, which results in a more precise estimate.

Conclusions:

≤0.1 Pa at 20 °C (OECD 104, calculated)

Description of key information

≤0.1 Pa at 20 °C (OECD 104, calculated)

Key value for chemical safety assessment

Vapour pressure:

0.001 Pa

at the temperature of:

25 °C

Additional information

The vapour pressure of the test substance was determined by Grain-Watson estimation based on the lowest possible boiling temperature.

Supporting information from QSAR calculation with the main component 2-[(Z)-octadec-9-enoyl]oxypropyl (Z)-octadec-9-enoate shows significant lower vapour pressure (2.67 E-10 Pa at 25 °C), given as <0.001 Pa at 25 °C.