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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
Qualifier:
no guideline followed
Principles of method if other than guideline:
To get a hint on the physico-chemical data, the EPIWIN calculation was conducted for the C8 and the C18 derivatives; EPIWIN v3.20, MPBPWIN v1.42.
Type of method:
other: calculation
Temp.:
25 °C
Vapour pressure:
< 0 Pa
Remarks on result:
other: 8-derivative: 6E-23 mm Hg (8E-21 Pa)
Temp.:
25 °C
Vapour pressure:
< 0 Pa
Remarks on result:
other: C18-derivative: 6.7E-27 mm Hg (8.9E-25 Pa)

The calculation via EPIWIN v3.20, MPBPWIN v1.42 yielded vapor pressures of 6E-23 mm Hg (8E-23 hPa) and 6.7E-27 mm Hg (8.9E-27 hPa; at 25°C each) for teh C8 and C18 derivatives of Amphopropionates C12-18, respectively.

Conclusions:
Amphopropionates C12-18 is a UVBC substance containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, the EPIWIN calculation was conducted for the C8 and the C18 derivatives. The vapour pressures were calculated using EPIWIN v3.20, MPBPWIN v1.42. The calculation yielded vapour pressures of 6E-23 mm Hg (8E-23 hPa) and 6.7E-27 mm Hg (8.9E-27 hPa; at 25°C each), respectively. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.

Description of key information

8E-21 Pa (C8 derivative) / 8.9E-25 Pa (C18 derivative) (estimated by calculation: EPIWIN v3.20, MPBPWIN v1.42; no GLP)

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information

According to REACH Annex XI, 2. the determination of the vapour pressure of Amphopropionates C12-18 is not necessary, because it is technically not possible: the expected value of vapour pressure for the pure substance cannot be measured due to residual content of solvent which results in a higher solvent vapour pressure than test substance vapour pressure. The residual content of solvent cannot be reduced below the limit of measurement with reasonable effort. As the substance is ionic/amphoteric, the vapour pressure of the pure substance is expected to be extremely low.

Supporting data are available from a calculation.

Amphopropionates C12-18 is a UVBC substance containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, the EPIWIN calculation was conducted for the C8 and the C18 derivatives. The vapour pressures were calculated using EPIWIN v3.20, MPBPWIN v1.42. The calculation yielded vapour pressures of 6E-23 mm Hg (8E-23 hPa) and 6.7E-27 mm Hg (8.9E-27 hPa; at 25°C each), respectively.

For chemical safety assessment, the lowest value accepted by IUCLID (1E-09 Pa) will be used.