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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
01.02.2018 - 28.08.2018
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
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
GLP compliance:
no
Type of method:
static method

Test material

Constituent 1
Reference substance name:
Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)
EC Number:
916-222-4
Molecular formula:
C51H99N2O6.CH3O4S
IUPAC Name:
Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)
Specific details on test material used for the study:
Name: AGENT 5088-127A
Lot No. Purity Manufactured date Retest date
5124-143-001 100% 20/12/2017 20/12/2020

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
8.21 Pa

Applicant's summary and conclusion

Conclusions:
The Limit value vapour pressure of the test item, AGENT 5088-127A was calculated to be 8.21 Pa at 25ºC
Executive summary:

The boiling point of the test item was determined under Advinus Study No.: N3796. As per the results from the Eurofins Advinus Study No.: N3796, the boiling point of the test item is 240.1 ± 7.495ºC.

Using the value, 240.1 ± 7.495ºC for boiling point, a limit value of vapour pressure (which means that the vapour pressure of the test item will not be more than the estimated value) was calculated using the below:

 where:

PVP= Vapour pressure at temperature 25ºC

Hvb= Heat of vapourization

Zb= Compressibility factor (0.97)

T = temperature of interest

T = 25C+273=298K

Tb= normal boiling point;

Tb= 240.1 + 273 = 513.1K

T/Tb= 298K/573K = 0.52

m = empirical factor depending on the physical state at the temperature of interest

Since the test item is considered as liquid at 25ºC, m = 0.19

Further,

           

where, Kfis an empirical factor considering the polarity of the substance. Kfis taken as 1.06 as a valuegiven in the “Handbook of Chemcial Property Estimation Methods” by Warren J. Lyman, William F. Reehland David H.Rosenblatt. American Chemical Society, 1990.

Kf= 1.06 for componds not listed in the above book

R = 1.987 Cal/mol.k

= 1.06 (8.75 + 1.987 ln 513.1)

= 1.06 (8.75 + 12.4)

= 22.4

DZb =0.97

=

 

=

=

=

ln Pvp= -9.42

P = antilog (-9.42)×760 = 0.0616 mm Hg

= 8.21 Pa at 25ºC