Ozonized olive oil

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Remarks:

EPI Suite

Adequacy of study:

key study

Study period:

2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

1. SOFTWARE: EPI Suite

2. MODEL (incl. version number): Results obtained using Modified Grain Method (EPI Suite Method MPBPWIN v1.44). This temperature has been selected because correspond to the substances melting point.

3. SMILES: CCCCCCCCCCCCCCCC(=O)
OCC(COC(=O)CCCCCCCC1OOC(CCCCCCCC)O1)OC(=O)CCCCCCCC2OOC(CCCCCCCC)O2

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface

5. APPLICABILITY DOMAIN
- Descriptor domain: molecula weight, structure, SMILES, boiling point, melting point
- Structural and mechanistic domains: Lyman, W.J. 1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2. Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.

Qualifier:

according to guideline

Guideline:

other: EPI Suite calculation

Version / remarks:

MPBPWIN v1.44

Type of method:

other: estimation method (Modified Grain Method)

Specific details on test material used for the study:

The estimated value Vapor Pressure (at 20°C and 25°C) was calculate using Ozonized Triglycerides as representative substance (68-70% of total UVCB).
SMILES relating to the substance used for Log Ko/w estimation: CCCCCCCCCCCCCCCC(=O)
OCC(COC(=O)CCCCCCCC1OOC(CCCCCCCC)O1)OC(=O)CCCCCCCC2OOC(CCCCCCCC)O2

Test no.:

#1

Temp.:

25 °C

Vapour pressure:

0 mm Hg

Remarks on result:

other: Results obtained using Modified Grain Method (EPI Suite Method MPBPWIN v1.44). This temperature has been selected because correspond to the substances melting point.

Transition / decomposition:

yes

Transition temp.:

> 24 - < 25 °C

Vapour pressure at 20°C below transition temperature:

0 mm Hg

Remarks on result:

other: Results obtained using Modified Grain Method (EPI Suite Method MPBPWIN v1.44).

Conclusions:

Vapor pressure (25°C)=1.46E-018 mm Hg (Modified Grain Method)

Executive summary:

 The estimated value of Vapor Pressure was calculate using Ozonized Triglycerides as representative substance. The substance is a complex UVCB, composed by Ozonized Triglyceride plus dimers and trimers. Ozonized triglycerides have the lowest molecular weight and they represent the part of the substance with the highest possible vapour pressure. The estimated value is low enough to justify the absence of concern that may derive from this endpoint. The measure of the experimental value is deemed useless.

The values was calculated at 20°C (solid state) and 25°C (liquid state - melting point 24.5(+/-0.5)°C).

The results are:

Vapor pressure (20°C)=4.41E-019 mm Hg (Modified Grain Method)

Vapor pressure (25°C)=1.46E-018 mm Hg (Modified Grain Method)

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C

Additional information

The estimated value of Vapor Pressure was calculate using Ozonized Triglycerides as representative substance. The values was calculated at 20°C (solid state) and 25°C (liquid state - melting point 24.5(+/-0.5)°C).

The results are:

Vapor pressure (20°C)=4.41E-019mmHg (Modified Grain Method)

Vapor pressure (25°C)=1.46E-018mmHg (Modified Grain Method)