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

Density

Administrative data

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 Feb - 02 Mar 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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 109 (Density of Liquids and Solids)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.3 (Relative Density)

GLP compliance:

yes (incl. QA statement)

Remarks:

Landesamt für Umwelt, Wasserwirtschaft und Gewerbeaufsicht, Mainz, Germany

Type of method:

air comparison pycnometer (for solids)

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

Density

Type:

relative density

Density:

1.172

Temp.:

20 °C

Any other information on results incl. tables

Findings

All measured values and the corresponding calculation results are given in the following table:

First determination				Error rel.	Error abs.
Temperature	19.8 °C				0.1
Density of water	0.998203 g/cm³			2.00%	0.0002
Weighing #	m1	m2	m3	m4	m5
Item	Pycn. empty	Pycn. + water	Pycn. + repl . liq.	Pycn. + test item	Pycn. + test item + repl. liq.
Mass (g)	43.4885	93.8785	83.3076	55.6126	87.2305
Temperature (°C)	20.0	19.8	20.0	20.0	19.8
Second determination				Error rel.	Error abs.
Temperature	20.0 °C				0.1
Density of water	0.998203 g/cm³			2.00%	0.0002
Weighing #	m1	m2	m3	m4	m5
Item	Pycn. empty	Pycn. + water	Pycn. + repl . liq.	Pycn. + test item	Pycn. + test item + repl. liq.
Mass (g)	43.4879	93.8775	83.3064	55.6666	87.3324
Temperature (°C)	20.2	20.0	20.0	19.8	20.2

Pycn. = pycnometer, repl. liq. = replacement liquid, rel. = relative, abs. = absolute

Calculation of Results
Evaluation
Density of test item

Density ρ is calculated as follows (under the condition of equal temperatures at the determination

of the density of test item and replacement liquid and at the determination of the

volume of the pycnometer):

ρ_s= (m4 – m1 / (m3 – m1) – (m5 – m4)) * ρ_verd

ρ_s: density of solid test item in g/cm³

m1: mass of empty pycnometer in g

m3: mass of pycnometer with replacement liquid in g

m4: mass of pycnometer with solid test item in g

m5: mass of pycnometer with replacement liquid and test item in g

ρ_verd: density of replacement liquid in g/cm³

The relative density of test item has the same number value, but no unit.

Density of replacement liquid is:

ρ_verd= (m3 – m1/m2 – m1)* ρ_H2Owith

ρ_verd: density of replacement liquid in g*cm^-3

m1: mass of empty pycnometer in g

m2: mass of pycnometer with water in g

m3: mass of pycnometer with replacement liquid in g

ρ_H2O: density of water at test temperature (0.9982 g*cm-3 at 20.0 °C)

  

Presentation of Results
Results of the single determinations with the respective error as well as the mean value and its standard deviation are presented in the following tables:

Determination	Density (g/cm³)	Error of determination (g/cm³)
1	1.1661	0.0003
2	1.1783	0.0003

 

Results – Mean values

Parameter	Value	Standard deviation	Relative standard deviation (%)
Volume of pycnometer	50.48 cm³	0.0003	0.00
Density of test item	1.1722 g/cm³	0.0086	0.74
Density of test item	1172.2 kg/m³	8.60	0.74
Relative density of test item	1.1722	0.0086	-

 

Discussion
The density of the test item was calculated as 1.1722 ± 0.0003 g/cm³ at 20.0 ± 0.2 °C, which is the mean of two independent determinations with the maximum error of a single determination. Standard deviation was 0.0086 g/cm³, showing acceptable correlation of the two determinations. Therefore, the study is considered valid.