Reaction mass of Reaction product of 1-chloro-3-{[1-chloro-3-(dodecyloxy)propan-2-yl]oxy}propan-2-ol with methyl diethanolamine and [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium chloride

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-01-23 to 2018-03-15

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Version / remarks:

2006

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Version / remarks:

2009

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: Knudsen cell

Test material

Test material information

Constituent 1

Reference substance name:

Reaction mass of Reaction product of 1-chloro-3-{[1-chloro-3-(dodecyloxy)propan-2-yl]oxy}propan-2-ol with methyl diethanolamine and [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium chloride

IUPAC Name:

Reaction mass of Reaction product of 1-chloro-3-{[1-chloro-3-(dodecyloxy)propan-2-yl]oxy}propan-2-ol with methyl diethanolamine and [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium chloride

Test material form:

other: solid, very viscous yellow paste

Results and discussion

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

0 Pa

Remarks on result:

other: calculated from the regression equation

Vapour pressure 2

Key result

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: calculated from the regression equation

Any other information on results incl. tables

- Observations:

Experiment 1-6 (nominal temperature 30 - 105 °C) showed no reproducible weight loss. When visible contaminations, caused by explosive evaporation of the test item, were observed, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, these measurements were not used for calculations.

Three experiments could be evaluated as they showed relevant and reproducible weight loss. All evaluated experiments showed good reproducibility, giving relative standard deviations of less than 30 % (limit value from the guideline: 30 %) and good correlation.

- Experimentally determined vapour pressures:

Temperature	Temperature	Pressure	Stand. Dev. p	RSD p
°C	K	Pa	Pa	%
120.0	393.2	1.15E-02	2.87E-03	25.0%
135.0	408.2	3.48E-02	3.56E-03	10.2%
150.0	423.2	8.08E-02	2.36E-02	29.3%

The linear regression of log P vs 1/T gave a correlation coefficient r of -0.9983.

- Positive Control: Vapour pressure (positive control) at 30°C: 0.16 Pa, compared with recommended value

Applicant's summary and conclusion

Conclusions:

The vapour pressures of test item at 20 °C and at 25 °C were calculated to be 9.90E-07 Pa and 1.84E-06 Pa, respectively.

Executive summary:

The vapour pressure of test item was determined according to OECD 104 resp. EU A.4 using the Knudsen effusion method (weight loss).

Vapour pressure was examined at nine different temperatures (30, 45, 60, 75, 90, 105, 120, 135 and 150°C, corresponding to experiment 1 -9 respectively). Experiment 1-6 (nominal temperature 30 - 105 °C) showed no reproducible weight loss. Three temperatures (120, 135 and 150°C) could be evaluated as they showed reproducible weight loss. The vapour pressures at 120, 135 and 150°C were determined to be 1.15E-02, 3.48E-02, 8.08E-02 Pa, respectively. A linear regression was fitted and the vapour pressure at 20 and 25°C calculated.

The vapour pressures of test item at 20 °C and at 25 °C were calculated to be 9.90E-07 Pa and 1.84E-06 Pa, respectively.