N,N'-[1,4-phenylenebis(methylene)]bis{N,N-dimethyl-3-[(prop-2-enoyl)amino]propan-1-aminium} dichloride

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21 Feb - 07 Apr 2017

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

only 3 measurement results could be used in the linear regression

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

GLP compliance:

yes (incl. QA statement)

Remarks:

Landesamt für Umwelt, Wasserwirtschaft und Gewerbeaufsicht, Mainz, Germany

Type of method:

effusion method: Knudsen cell

Test material

Test material information

Constituent 1

Reference substance name:

{[4-({dimethyl[3-(prop-2-enamido)propyl]azaniumyl}methyl)phenyl]methyl}dimethyl[3-(prop-2-enamido)propyl]azanium dichloride

EC Number:

812-548-5

Cas Number:

1621424-03-0

Molecular formula:

C24H40Cl2N4O2

IUPAC Name:

{[4-({dimethyl[3-(prop-2-enamido)propyl]azaniumyl}methyl)phenyl]methyl}dimethyl[3-(prop-2-enamido)propyl]azanium dichloride

Results and discussion

Vapour pressure

Vapour pressure 1

Temp.:

20 °C

Vapour pressure:

0 Pa

Vapour pressure 2

Temp.:

25 °C

Vapour pressure:

0 Pa

Any other information on results incl. tables

Results

Parameters of linear regression

Parameter	Value
Slope	-5919.7
Intercept	12.2189
Correlation coefficient r	-0.9986
Coefficient of determination r²	0.9973

The following vapour pressures were examined and considered as valid:

T (°C)	T (K)	P (Pa)	Standard dev. P. (Pa)	RSD P (%)
120	393.2	1.41E-03	1.10E-04	7.8
135	408.2	5.61E-03	1.67E-03	29.7
150	423.2	1.64E-02	3.44E-03	21.0

 

For the test item, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:

Vapour pressure at 20 °C: 1.06E-08 Pa

Vapour pressure at 25 °C: 2.31E-08 Pa

 

The linear regression of log P vs. 1/T gave a correlation coefficient r of - 0.9986, showing good repeatability and precision. Therefore, the determination is considered as valid.

 

Discussion

The vapour pressure of the test item was determined at nine different temperatures (30, 45, 60, 75, 90, 105, 120, 135 and 150 °C) following EU A.4 using the effusion method (weight loss). Experiment 1-6 (nominal temperature 30, 45, 60, 75, 90 and 105 °C) showed no reproducible weight loss. Therefore they were not used for calculation of the result. 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 sufficient reproducibility, giving relative standard deviations of less than 30 % and good correlation.

Therefore, the result of the test can be considered valid.