4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-acetyl-1,2,3,6,7,11b-hexahydro-

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

10.02.2004 - 02.04.2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

>= 437 - <= 443 °C

Atm. press.:

1 014 hPa

Decomposition:

no

Three measurements in aluminium crucibles with a hole showed an endothermic effect in the temperature range 130 - 155 °C (melting). A second endothermic effect was observed in the temperature range 350 - 470 °C with an onset temperature of 438 to 442 °C.

Ident.-No.	Onset / °C	Temperature range / °C	Crucible
13921	437.54	370 - 460	Aluminium with an aperture
18023	442.20	390 - 460	Aluminium with an aperture
18925	441.32	350 - 470	Aluminium with an aperture

For the correction Δt of the boiling point to standard atmospheric pressure (1013.3 hPa) the equation, table and graphs of H.B Hass and R.F Newton in„CRC Handbook of Chemistry and Physics, 74th ed. 1993 - 1994”, pages 15 - 16 and 15 - 17 were used:

Δt = [(273.15 + t)(3.0057 - log p)] / [Φ + 0.15(3.0057 - log p)] (t in °C, p in hPa)

For the estimation of Φ the test item was classified in group 3 (Esters) according to the table of H.B Hass and R.F Newton.

Ident.-No.	Onset / °C	Atmospheric pressure / hPa	Φ (group 3)	Δt / °C	Boiling point at 1013.3 hPa / °C
18921	437.54	1014	5.713	- 0.042	437.5
18923	442.20	1014	5.723	- 0.042	442.2
18925	441.32	1013	5.721	0.011	441.3

According to these results the boiling range of the test item is 437 - 443 °C.

Conclusions:

The boiling range of the test item at atmospheric pressure (1013.3 hPa) was determined to be 437 - 443 °C.

Executive summary:

A study was conducted according to OECD TG 103 and Guideline 67/548/EEC Annex V method A.2 to determine the boiling point of the test item using differential scanning calorimetry (DSC). The test item was heated up from ambient temperature to the final temperature (460 °C and 500 °C, respectively) at a constant heating rate (10 K/min) in a defined atmosphere (nitrogen). Aluminium crucibles with a small hole were used as containers for the test item and as empty reference crucible. Amounts of samples of the original test item of about 3 - 6 mg were used. Three measurements in aluminium crucibles with a hole showed an endothermic effect in the temperature range 130 - 155 °C (melting). A second endothermic effect was observed in the temperature range 350 - 470 °C with an onset temperature of 438 to 442 °C. The correction of the boiling temperature to standard pressure was performed according to H.N. Hass and R.F. Newton. The boiling range of the test item at atmospheric pressure (1013.3 hPa) was determined to be 437 - 443 °C.

Description of key information

The boiling range of the test item at atmospheric pressure (1013.3 hPa) was determined to be 437 - 443 °C.

Additional information

A study was conducted according to OECD TG 103 and Guideline 67/548/EEC Annex V method A.2 to determine the boiling point of the test item using differential scanning calorimetry (DSC). The test item was heated up from ambient temperature to the final temperature (460 °C and 500 °C, respectively) at a constant heating rate (10 K/min) in a defined atmosphere (nitrogen). Aluminium crucibles with a small hole were used as containers for the test item and as empty reference crucible. Amounts of samples of the original test item of about 3 - 6 mg were used. Three measurements in aluminium crucibles with a hole showed an endothermic effect in the temperature range 130 - 155 °C (melting). A second endothermic effect was observed in the temperature range 350 - 470 °C with an onset temperature of 438 to 442 °C. The correction of the boiling temperature to standard pressure was performed according to H.N. Hass and R.F. Newton. The boiling range of the test item at atmospheric pressure (1013.3 hPa) was determined to be 437 - 443 °C (reference 4.3-1).