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Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2009
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study comparable to guideline study, no GLP compliance.
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Principles of method if other than guideline:
The attempt of measurement was carried out by using a reflux distillation apparatus adapted from the description in OECD testing guidelines 103, dynamic method.
Instrumentation: Instrumentation consists of a membrane vacuum pump ILMVAC LVS 610 Ecoflex S/N 25154 with controller ILMVAC VCZ 324 and Vacuummeter VAP5 connected to a vacuum disillation apparatus with thermometer and other standard laboratory glassware.
Calibration: The instruments were checked by measuring the full vacuum of the membrane pump and checking the thermometer against the calibrated one of the kinematic Ubbelode viscosimeter thermostatting bath.
Specified full vacuum of the ILMVAC pump is 2.9 mbar (290 Pa). Measured vacuum with empty apparatus was 3.0 mbar (300 Pa). Deviation of desplay of the used destillation thermometer against the calibrated thermometer was <0.1 °C. These tolerances were considered as acceptable and the instruments were released for use.
GLP compliance:
no
Remarks:
Instead: DIN EN ISO 9001: 2000 management system certification (incl. certificate), TUEV NORD CERT GmbH, Germany
Type of method:
dynamic method
Decomposition:
yes
Decomp. temp.:
ca. 165 °C

At the best achieved vacuum of 3.5 mbar (350 Pa) no boiling under reflux of the substance was observed. At 140°C (413 K) the test material starts to turn yellow without boiling. At 165°C (438 K) the test material turns to brown. Decomposition was stated by the operator. The attempt to measure a boiling point under the above mentioned conditions was terminated. It was decided to calculate the boiling point with the EPA-software MPBPWIN 1.42 (current version 2009).

With the data of MPBPWIN 1.42 the boiling point at 101.3 kPa of Pentaerytrityltetra (3-mercaptopropionate) (PETMP) was calculated to 536.82 °C (809.98 K) with an uncertainty of approximately 14°.

Conclusions:
The boiling point of the test substance Pentaerytrityltetra (3-mercaptopropionate) (PETMP) could not be determined experimentally because of decomposition of the test item beginning at 165 °C (438 K). The boiling point of the test substance has been calculated: 536.82 °C (809.98 K).
Executive summary:

The determination of the boiling point of the test substance Pentaerytrityltetra (3-mercaptopropionate) (PETMP) in an experiment was not possible because of decomposition of the test item beginning at ~165 °C. The experimental study was conducted in accordance with OECD 103 Guideline for testing of chemicals, dated 27. July 1995 "Boiling Point" and EU-Method A.2, dated 31. July 1992, "Boiling Point". With the data of MPBPWIN 1.42 the boiling point at 101.3 kPa of Pentaerytrityltetra (3-mercaptopropionate) (PETMP) was calculated to 536.82 °C (809.98 K).

Description of key information

Boiling point: decomposition before boiling;
Decomposition temperature: ca. 165°C.
Fölsing, R. (2009)

Key value for chemical safety assessment

Additional information

In the experimental laboratory study no boiling point of the test substance Pentaerytrityltetra (3-mercaptopropionate) (PETMP) has been determined, because of decomposition of the test item beginning at 165°C (438 K). The boiling point at 101.3 kPa of Pentaerytrityltetra (3-mercaptopropionate) (PETMP) was calculated to be 536.82 °C (809.98 K) with the data of MPBPWIN 1.42. Studies were performed according to the OECD 103 Guideline for testing of chemicals, dated 27. July 1995 "Boiling Point" and EU-Method A.2, dated 31. July 1992, "Boiling Point". Boiling point was calculated with the use of EPA program MPBPWIN 1.42.