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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
28 February 2018 and 18 April 2018
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:
REWOTERIC AM V is a multi-component mixture, the vapour presure of the components of REWOTERIC AM V are estimated using an accepted QSAR.
Qualifier:
no guideline available
Principles of method if other than guideline:
The vapour pressure of the components with the two main alkyl chains of REWOTERIC AM V are estimated using the ACD/PERCEPTA software Release 14.2.0 (Build 2977, 29 Sep 2017), i.e. QSAR estimation.
GLP compliance:
no
Key result
Temp.:
20 °C
Vapour pressure:
< 0.133 Pa
Remarks on result:
other: See remark.
Remarks:
The estimated vapour pressure at 20°C with ACD/Labs is <0.133 Pa for all organic components in REWOTERIC AM V.

The Table below provides the QSAR estimates for vapour pressure and boiling point for all components with the two main alkyl chains in REWOTERIC AM V. For references to Figures 1-6 mentioned in Table 1, please refer to the attached background material. The estimated vapour pressure at 20°C with ACD/Labs is <0.133 Pa for all organic components in REWOTERIC AM V.

 

Table 1: Vapour pressure and boiling point of organic components in REWOTERIC AM V

Substance

CAS

Vapour pressure

at 20 °C

estimated, Pa

Boiling point

estimated, °C

Concentration water-free %

N-(2-hydroxyethyl)-N-[2-[(1-

oxooctyl) amino] ethyl] glycinate

(corresponding neutral acid: fig. 1)

68608-61-7

<0.133

521.5

~59

N-(2-hydroxyethyl)-N-[2-[(1-

oxodecyl) amino] ethyl] glycinate

(corresponding neutral acid: fig. 2)

68608-64-0

<0.133

538.9

N-(2-hydroxyethyl)-N-[2-[(1-

oxooctyl) ethyl] amine(fig. 3)

 

<0.133

430.7

~6

N-(2-hydroxyethyl)-N-[2-[(1-

oxodecyl) ethyl] amine

 

<0.133

453

(Hydroxyethyl)-N-(aminoethyl)

glycinate(fig. 4)

 

<0.133

335.5

~4

Glycolic acid*(fig. 5)

79-14-1

<0.133**

265.6*

~4

N-Carboxymethyl-(N’-[2-

hydroxyethyl]-N’-(1-oxooctyl]-2-

aminoethyl) glycinate (fig. 6)

 

<0.133

572.8

 

~1

N-Carboxymethyl-(N’-[2-

hydroxyethyl]-N’-(1-oxodecyl]-2-

aminoethyl) glycinate

 

<0.133

589.3

Note: For references to Figures 1-6 please refer to the attached background material.

* Decomposition at 100 °C, GESTIS-Stoffdatenbank

** 10,8 hPa (80 °C), , GESTIS-Stoffdatenbank

Conclusions:
The estimated vapour pressure at 20°C with ACD/Labs is <0.133 Pa for all organic components in REWOTERIC AM V.
Executive summary:

The vapour pressure of the components with the two main alkyl chains of REWOTERIC AM V are estimated using the ACD/PERCEPTA software Release 14.2.0 (Build 2977, 29 Sep 2017). The ACD/Labs Percepta software is listed in the “Guidance on information requirements and chemical safety assessment, Chapter R.7a: Endpoint specific guidance; May 2008. The calculation of the vapour pressure is based on the non-ionized form (free acid or free base). All of the components in REWOTERIC AM V were considered in the QSAR, except water, sodium, chloride and an unknown (occurring at ~1% w/w in REWOTERIC AM V). The estimated vapour pressure at 20°C with ACD/Labs is <0.133 Pa for all organic components in REWOTERIC AM V.

Description of key information

The estimated vapour pressure at 20°C with ACD/Labs is <0.133 Pa for all organic components in REWOTERIC AM V.

Key value for chemical safety assessment

Vapour pressure:
0.133 Pa
at the temperature of:
20 °C

Additional information