Hexanoic acid, 2-ethyl-, C12-15-alkyl esters

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

9 Jan 2018 - 16 Feb 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

27 July 1995

Deviations:

no

GLP compliance:

no

Other quality assurance:

other: ISO 9001: 2015

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

354.6 °C

Atm. press.:

>= 1 016 - <= 1 020 hPa

Preliminary Test

The TGA curve of the test item is shown in Figure 1. Starting at 300°C, the weight of the sample decreased significantly. At 357°C, the sample weight had decreased by 25%.

After the experiment it was observed that the test item was evaporated from the sample container.

Main Study

The DSC curve obtained with Experiment 1 is shown in Figure 2. During cooling, exothermic effects were observed between -10°C and -80°C (results are archived in the raw data). The effects was obtained due to crystallization of the test item. During heating two endothermic peaks were observed between -90°C and 25°C followed by a broad endothermic effect between 200°C and 375°C. The peak max temperature of the first peak was -35.149°C and -4.933°C for the second peak. The endothermic effects were obtained due to melting of the test item. The extrapolated onset temperature of the third peak was 340.434°C. The third endothermic effect was most likely obtained due to boiling of the test item.

After the experiment it was observed that the test item had evaporated from the sample container.

In order to investigate the boiling peak, a higher heating rate of 50°C/minute was used during heating from 25°C in the Experiment 2. Figure 3 shows the DSC curve obtained. The peak max temperature of the first peak was -35.577 and 5.228°C for the second peak. Theextrapolated onset temperature of the third peak was 358.128°C. The third endothermic peak had not shifted significantly to higher temperatures. It demonstrated that boiling of the test item caused the endothermic effect. After the experiment it was observed that the test item had evaporated from the sample container.

Experiment 3 was performed as a duplicate of Experiment 1 (without the cooling cycle). Figure 4shows the DSC curve obtained. Similar results as in Experiment 1 were obtained. The extrapolated onset of theboilingpeak was 354.555°C. The difference in the extrapolated onset between Experiment 1 and 3 was > 1°C. After the experiment it was observed that the test item had evaporated from the sample container.

Experiment 4 was performed as a duplicate of Experiment 3. Heating rate was the same as in Experiment 1 and Experiment 3. Figure 5 shows the DSC-curve obtained. The extrapolated onset of the boiling peak was 354.674°C. Afterthe experiment it was observed that the test item had evaporated from the sample container.

The melting temperature was determined as a melting range obtained from the average peak maximum of the first melting temperature (-35.4°C) and the average peak maximum of the last melting temperature (-5.081°C).

The boiling temperature was determined as the mean boiling temperature of Experiment 1 (354.555°C) and Experiment 2 (354.674°C).

Conclusions:

The boiling point of the test substance was found to be 354.6 °C at 1013 hPa, under the conditions of the test.

Executive summary:

In this guideline (OECD 103) study, the boiling point of the test substance (EC 291-443-0) was found to be 354.6 °C at 1018 ± 2 hPa.

Description of key information

Study conducted to recognised testing guidelines [with GLP certification].

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

354.6 °C