(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 Jul - 17 Jul 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Deviations:

not specified

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

not specified

GLP compliance:

yes (incl. QA statement)

Remarks:

Landesamt für Umwelt Rheinland-Pfalz; Mainz, Germany

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide

EC Number:

261-684-6

EC Name:

(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide

Cas Number:

59272-84-3

Molecular formula:

C21H42N2O3

IUPAC Name:

(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide

Test material form:

solid: particulate/powder

Results and discussion

Boiling point

Decomposition:

yes

Remarks:

Onset bp under decomposition is 216.96 °C.

Decomp. temp.:

>= 170.05 - <= 271.94 °C

Any other information on results incl. tables

Preliminary Test Results

Pre-test following Siwoloboff-

All observations of the Pre-test following Siwoloboff are presented in the following table.

Note: test substance is a white powder.

Observations	Temperatures in °C
Test item began to shrivel	Since 120
Melted to a clear yellowish liquid with foam	220
Many bubbles were visible, color became darker	234
Bubble chain (Boiling),heating plate turned off	242
the chain of bubbles broke, test item is dark brown	231

After cooling down the test item was petrified as a brown solid.

Security Pre-test for the DSC instrument-

The crucible was found visually unchanged after reaching a temperature of 300 °C. The weight of the crucible was recorded with 47.42 mg.

Values DSC Indium-

Expected Melting point	Measured Melting point	Expected Energy	Measured Energy	Assessment
156.6±1.0°C	156.44 °C(onset)	28.45±1.0J/g	27.89J/g	OK

The measurement of indium after calibration met the validity criteria.

Values DSC Test Item first determination-

[°C]	Temperature [°C]	Energy
Begin Melting process	60.53(EventMarker)	19.58mW
End Melting process	115.68(EventMarker)	19.63mW
Begin boiling process	184.20(EventMarker)	19.42mW
End boiling process	Notdetected	-
Onset boiling point	217.06(Onset)	19.46mW

As the end of the Peak was not completely detected the end temperature was set to 300°C.

Values DSC Test Item second determination-

[°C]	Temperature [°C]	Heatflow
Begin Melting process	61.25(EventMarker)	19.56mW
End Melting process	113.61(EventMarker)	19.59mW
Begin boiling process	170.05(EventMarker)	19.40mW
End boiling process	271.25(EventMarker)	19.68mW
Onset boiling point	216.73(Onset)	19.49mW(Energy125.14J/g)

 

Values DSC Test Item third determination-

[°C]	Temperature [°C]	Heatflow
Begin Melting process	61.28(EventMarker)	19.92mW
End Melting process	90.20(EventMarker)	20.19mW
Begin boiling process	183.32(EventMarker)	19.37mW
End boiling process	269.71(EventMarker)	19.60mW
Onset boiling point	217.00(Onset)	19.44mW(Energy117.63J/g)

Values DSC Test Item fourth determination-

[°C]	Temperature [°C]	Heatflow
Begin Melting process	65.78(EventMarker)	19.91mW
End Melting Process	90.53(EventMarker)	20.11mW
Begin boiling process	189.72(EventMarker)	19.69mW
End boiling process	270.73(EventMarker)	19.78mW
Onset boiling point	217.07(Onset)	19.66mW(Energy124.24J/g)

Values DSC Test Item fifth determination-

[°C]	Temperature[°C]	Heatflow
Begin Melting process	65.99(EventMarker)	18.90mW
End Melting process	104.38(EventMarker)	19.21mW
Begin boiling process	185.25(EventMarker)	19.11mW
End boiling process	271.94(EventMarker)	19.31mW
Onset boiling point	216.92(Onset)	19.09mW(Energy129.04J/g)

Observations—

	Mass test item	Mass crucible(before meas-urement):	Mass crucible(after meas-urement):	Observations
First Measurement	1.51mg	46.95mg	46.70mg	After the test the crucible was visually unchanged
Second Measurement	1.52mg	46.80mg	46.41mg	After the test the crucible was visually unchanged
Third Measurement	1.52mg	47.02mg	46.52mg	After the test the crucible was visually unchanged
FourthMeasurement	1.52mg	47.25mg	46.88mg	After the test the crucible was visually unchanged
Fifth Measurement	1.53 mg	47.14mg	46.87mg	After the test the crucible was visually unchanged.After the test, the crucible was opened and a brown residue was visible.

Interpretation of the measurements-

Based on the observations of the pre-test, the events between 60.53 °C and 115.68 °C should be interpreted as melting range. The broad peak at the end can be interpreted as boiling point. In the pre-test and after opening the crucible, observations were made which indicate decomposition. Therefore, the boiling point is stated as boiling under decomposition and it will be given in a range.

 

Results Summary-

For the calculation of the values of the mean and the standard deviation, only the second and third determination was taken into account.

Beginning of melting process	in°C(eventmark)	inK
1Determination	60.53	333.68
2Determination	61.25	334.40
3Determination	61.28	334.43
4Determination	65.78	338.93
5Determination	65.99	339.14
Min	60.53	333.68
Endofmeltingprocess	in°C(eventmark)	inK
1Determination	115.68	388.83
2Determination	113.61	386.76
3Determination	90.20	363.35
4Determination	90.53	363.68
5Determination	104.38	377.53
Max	115.68	388.83
Beginning of boiling process under decomposition	in °C(eventmark)	in K
1Determination	184.20	457.35
2Determination	170.05	443.20
3Determination	183.32	456.47
4Determination	189.72	462.87
5Determination	185.25	458.40
Min	170.05	443.20
End of boiling process	in°C(eventmark)	inK
1Determination	notcompletelydetected	notcompletelydetected
2Determination	271.25	544.40
3Determination	269.71	542.86
4Determination	270.73	543.88
5Determination	271.94	545.09
Max	271.94	545.09
On set boiling point	in°C(onset)	inK
1Determination	217.06	490.21
2Determination	216.73	489.88
3Determination	217.00	490.15
4Determination	217.07	490.22
5Determination	216.92	490.07
Mean	216.96	490.11
SD	0.14	0.14

Discussion-

The determination of the boiling point of W-1108T was performed via DSC (differential scanning calorimetry). Based on the pre-test a boiling point under decomposition was determined under these circumstances as the second, broad endothermic event and it will be given in a range:

 

From 170.05 °C (443.20 K) to 271.94 °C (545.09 K)

with an onset of 216.96 °C (490.11 K)

 

The first endothermic event should be interpreted as melting process and will be given in a range from 60.53 °C to 115.68 °C.These values are the results from five independent determinations.

No observations were made which might cause doubts on the validity of the study outcome. Therefore, the result of the study is considered valid.