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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study without deviations

Data source

Reference
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Deviations:
no
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
N-[3-(isodecyloxy)propyl]propane-1,3-diamine
EC Number:
276-432-0
EC Name:
N-[3-(isodecyloxy)propyl]propane-1,3-diamine
Cas Number:
72162-46-0
Molecular formula:
C16H36N2O
IUPAC Name:
(3-aminopropyl)({3-[(2-methylnonyl)oxy]propyl})amine

Results and discussion

Boiling point
Boiling pt.:
> 252 - < 302 °C
Atm. press.:
ca. 102.4 kPa
Decomposition:
no

Any other information on results incl. tables

DSC Method Equipment

Equipment: Mettler Toledo DSC 823

Boiling point test

Temperature range: 25 °C up to 400 °C, heating rate: 10 K/min.

(preliminary test to 250 °C only)

Measured in Al pan with 50μ hole.

Decomposition test

Temperature range: 25 °C up to 450 °C, heating rate: 3 K/min.

Measured in sealed glass vial

Results

In the preliminary boiling point test, the sample shows a broad endothermic peak in the 60 to 150 °C range. This is followed by a broad exothermic peak. The endothermic peak probably corresponds to evaporation of a minor component, but it is smaller and much broader than a typical boiling point.

To further investigate the broad endothermic peak, a sample was heated to 200 °C only, then cooled and re-heated. On the second heating the peak was much smaller (32% of the original size).

This indicates that the peak is due to evaporation of a minor component, though the process is not complete after the first heating to 200 °C.

As an additional aid to interpretation, the boiling point was calculated with the Syracuse software. Two structures were calculated, corresponding to different branching of the alkyl chain. The calculated boiling points were 346 and 338 °C. This shows that the broad endothermic peak in cannot be the boiling point.

The decomposition test indicates that there is no decomposition up 400 °C. The change in slope at this temperature is interpreted as boiling under pressure. At the end of the experiment there was no change is the appearance of the sample. From this test we conclude that the sample does not decompose below its boiling point.

A second boiling point test to 400 °C shows a broad main boiling peak. The trace indicates that decomposition or oxidation starts before the end of the boiling process. The data from this test are used as the final result.

Measurement Onset Peak Atmospheric pressure

°C °C hPa

#1 277.1 320.1 1028

#2 277.6 326.0 1019

The mean onset is selected as giving the best value of the boiling point. The difference between the lower onset value and the higher peak value is used to estimate the uncertainty.

A minor component evaporates in the 60 to 150 °C range.

Applicant's summary and conclusion

Conclusions:
The boiling point of N-[3-(isodecyloxy)propyl]propane-1,3-diamine is 277 ± 25 °C at 102.4 kPa.
Executive summary:

The boiling point of N-[3-(isodecyloxy)propyl]propane-1,3-diamine is 277 ± 25 °C at 102.4 kPa.