1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

18 Aug 1999 to 30 Sep 1999

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

August 1996

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

December 1992

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: EU Mehtod A.4. (Vapour Pressure; See IUCLID Section 4.6)

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 104 (Vapour Pressure; See IUCLID Section 4.6)

GLP compliance:

yes

Type of method:

method according to Siwoloboff

Key result

Boiling pt.:

99.9 °C

Atm. press.:

0.32 Pa

Decomposition:

yes

Remarks:

The substance started to decompose in air (oxidative decomposition)

Decomp. temp.:

131 °C

Remarks on result:

other: measured value at different pressure. In air the substance is decomposed before reaching the boiling point.

RESULTS USING DIFFERENTIAL SCANNING CALORIMETRY

The observations strongly suggested that the substance was decomposing and that this decomposition was occurring before the boiling point could be reached. In order to interpret these observations with the test substance, additional investigations were performed using DSC. Finally, a second control determination of the boiling point of toluene was then performed using the same conditions as before. A boiling point of 109.5 °C was determined. Using the measured atmospheric pressure, 97.7 kPa, the temperature correction factors given in the OECD TG 103 guideline, the Sidney-Young number-value-equation, and the boiling point of toluene at standard pressure, it was possible to calculate the corrected boiling point, 109.3 °C, of toluene at the measured atmospheric pressure. The experimentally determined average boiling point of toluene, 109.6 °C, agreed well with this calculated, corrected value.

In order to interpret the observations made, additional investigations were performed under GLP, using DSC, by the testing facility, Physical Chemistry, Solvias AG, Basel (formerly: Physics, Novartis Services, Basel ). A Perkin Elmer 7 Series Thermal Analysis System was used. The thermal behaviour of the test substance was investigated, not only in air, but also under a nitrogen atmosphere, using a heating rate of 10.0 °C / minute, starting from 25.0 °C. Under nitrogen an intense decomposition began at around 353 °C. Prior to this temperature, there was no indication of boiling. In air, however, an initial decomposition was observed in the range 131 °C to 264 °C. This was followed by a second decomposition, which started at about 335 °C. As is, however, typical for oxidative decomposition, these temperatures are slightly dependent upon the ratio of test substance to air present in the DSC system. The nature of this initial decomposition must be oxidative as it was not observed under nitrogen. In neither curve, however, was any evidence of boiling observed.

 

RESULTS FROM A VAPOUR PRESSURE STUDY

This study was performed under GLP, in accordance with the OECD TG 104 guideline and the EEC method A.4. At 99.9 °C the test substance was determined to have a vapour pressure of 0.32 Pa. Therefore, at the reduced pressure of 0.32 Pa the test substance would boil at 99.9 °C.

Conclusions:

The DSC results indicated that the substance started to decompose in air at 131 °C (oxidative decomposition). Thereafter thermal decomposition occured before the boiling point could be reached, At the reduced pressure of 0.32 Pa the test substance would boil at 99.9 °C.

Executive summary:

This study was performed in accordance with the OECD TG 103 guideline,the EEC method A.2., the Product Properties Test Guideline, OPPTS 830.7220 and in compliance with GLP. Due to thermal decomposition of the test substance at a temperature lower than that of the boiling point it was not possible to determine the boiling point at normal pressure. Using differential scanning calorimetry it could be determined that:oxidative decomposition starts at about 131 °C.The boiling point at reduced pressure is taken from the report on vapour pressure curve:the boiling point at 0.32 Pa is 99.9 °C.

Description of key information

Due to thermal decomposition of the test substance at a temperature lower than that of the boiling point it was not possible to determine the boiling point at normal pressure using the Siwoloboff method. Using differential scanning calorimetry it could be determined that:oxidative decomposition starts at about 131 °C.The boiling point at reduced pressure is taken from the report on vapour pressure curve:the boiling point at 0.32 Pa is 99.9 °C, Das 1999.