1-Octanethiol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 January 2015 - 23 April 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP-compliant study in accordance with EC A.1.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

(2008)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

(1995)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Version / remarks:

(1998)

Deviations:

no

GLP compliance:

yes

Type of method:

thermal analysis

Remarks:

(differential scanning calorimetry)

Test material

Test material information

Constituent 1

Reference substance name:

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol

EC Number:

628-448-8

Cas Number:

34451-26-8

Molecular formula:

C8H5F13S

IUPAC Name:

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol

Details on test material:

- Name (as cited in study report): NS-1000
- Appearance: Clear colourless liquid

Results and discussion

Melting / freezing point

Melting / freezing pt.:

-26 °C

Atm. press.:

1 030 hPa

Remarks on result:

other: Melt. pt: 247 K

Any other information on results incl. tables

TGA EXPERIMENT

From the start of the study upwards the weight of the sample decreased significantly. At 120°C, the sample weight had decreased by 25%. After the experiment it was observed that the test substance evaporated from the sample container.

 

DSC EXPERIMENT 1

- During cooling an exothermic peak was observed between -30°C and -50°C, due to crystallization of the test substance. During heating an exothermic peak followed by an endothermic peak was observed between -50°C and 0°C. The exothermic effect was due to crystallization of the test substance and the endothermic effect was due to melting of the test substance. The extrapolated onset temperature of the melting peak was -25.74°C.

- Endothermic peaks were observed between 50°C and 125°C and between 125°C and 200°C. The reason for the first one is unknown. The extrapolated onset temperature of the second peak was 152.94°C. The effect was most likely obtained due to boiling of the test substance. Because the onset could not be determined accurately enough, it was not used for the calculation of the boiling temperature. After the experiment it was observed that the test substance evaporated from the sample container.

DSC EXPERIMENT 2

To investigate the boiling peak observed in Experiment 1, a closed sample container was applied in Experiment 2. The extrapolated onset temperature of the peak was 192.47°C. The peak had shifted to higher temperature which demonstrated that boiling of the test substance was the reason for the endothermic effect. The extrapolated onset temperature was not used for calculation of the boiling temperature, since the experiment was performed under higher pressure. After the experiment it was observed that the test substance evaporated from the sample container.

DSC EXPERIMENT 3

Experiment 3 was performed to determine the duplicate of the melting temperature and to measure the boiling temperature. The extrapolated onset of the melting peak was -26.11°C and the onset of the boiling peak was 158.26°C. After the experiment it was observed that the test substance evaporated from the sample container.

DSC EXPERIMENT 4

Experiment 4 was performed to determine the duplicate of the boiling temperature. The extrapolated onset of the boiling peak was 156.73°C. After the experiment it was observed that the test substance evaporated from the sample container.

MELTING POINT

The melting point was determined as the average melting temperature obtained from Experiment 1 (-25.74°C) and Experiment 3 (-26.11°C).

Applicant's summary and conclusion

Conclusions:

In a GLP-compliant study in accordance with EC A.1, OECD 102 and EPA OPPTS 830.7200 using differential scanning calorimetry, the melting temperature of the substance at 1030 hPa has been determined as -26°C.