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Boiling point

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Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline Study
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
distillation method
Boiling pt.:
175 °C
Atm. press.:
0.48 mBar

Preliminary test

In a micro-distillation apparatus, a small amount of test substance (7.0868 g) was heated, by means of a heating mantle, in a 25 mL round-bottom flask at atmospheric pressure. At the start of the test, when the heating mantle had a temperature of approximately 300 K (27°C) the test was a white powder. Then, the temperature of the heating mantle was heated to approximately 520 K (247°C) and the test substance started to melt. At a mantle temperature of 598 K (325°C), the test substance was melted completely and colored light brown. At a mantle temperature of 637 K (400°C) and a distillation temperature of 503 K (230°C), the test substance started to distill (one drop). The distillation temperature decreased to 493 K (220°C). The residue (1.7936 g) was colored brown and the distillate (3.1454 g) was colored yellow. The test substance was degraded. Therefore the test has to be performed under reduced pressure. The sum of distillate and residue was less than the weighed amount of test substance.

Test 1

In a micro-distillation apparatus, a small amount of the test substance (10.2493 g) was weighed, and was heated by means of a heating mantle, in a 25-mL round-bottom flask. At a mantle temperature and a distillation temperature of 296 K (23°C) the test substance was a white powder. The mantle temperature was increased to 432 K (159°C) at which temperature the test substance was melted completely. Hereafter, the pressure of the distillation apparatus was reduced to 0.60 mbar. The distillation temperature was still 296 K (23°C) at this moment and the pressure 0.49 mbar. At a mantle temperature of 498 K (225°C) and a distillation temperature of 445K (172°C), the test substance started to boil and some yellow crystals were formed in the condenser. The pressure was between 0.48 and 0.54 mbar at this moment. At a mantle temperature of 498 K (225°C), a distillation temperature of 448 K (175°C) and a pressure of 0.48 mbar almost all test substance was evaporated. The amount of residue, which was colored brown, was 0.6100 g. There was no distillate visible. The remaining test substance was in the condenser.

Test 2

In a micro-distillation apparatus, a small amount of the test substance (10.0324 g) was weighed, and was heated by means of a heating mantle, in a 25 mL round-bottom flask. At a mantle temperature of 301 K (28°C) and a distillation temperature of 297 K (24°C), the test substance was a white powder. The mantle temperature was heated to approximately 404 K (132°C) at which temperature the test substance started to melt. At a mantle temperature of 441 K (168°C) and a distillation temperature of 297 K (24°C) the test substance was melted completely. Hereafter, the pressure of the distillation apparatus was reduced to 0.40 mbar. At a mantle temperature of 445 K (182°C) and a distillation temperature of 297 K (24°C), the test substance started to boil (0.49 mbar). At a mantle temperature of 465 K (192°C) and a distillation temperature of 438 K (165°C)the test substance started to distill (0.54 mbar). At a distillation temperature of 448 K (175°C), mantle temperature 485 K (212°C) and 0.47 mbar the test substance continued to distill. All test substance crystallized in the condenser (yellow crystals). The rest was stopped at this moment because the crystals in the condenser blocked the cooler. The amount of residue, which was colored brown, was 2.8911 g. There was no distillate visible. The remaining test substance remained in the condenser.

Conclusion

The boiling temperature of the test substance under reduced pressure, 0.48 mbar, is 448 K (175°C). The boiling point could not be determined at atmospheric pressure due to decomposition of the test substance.

Conclusions:
The boiling temperature of the test substance under reduced pressure, 0.48 mbar, is 448 K (175 °C). Under atmospheruic pressure the test substance decomposed before boiling.
Executive summary:

The boiling temperature of the test substance was determined at atmospheric and under reduced pressure with the distillation method according to the OECD 103 Guideline for testing of chemicals and TNO Standard Operating Procedure Q 213-W-028 ‘Determination of Boiling Point/Range’. The method involves distillation of the test substance, measurement of the vapor condensation temperature and determination of the amounts of distillate and residue. The boiling temperature of the test substance under reduced pressure, 0.48 mbar, was measured as 448 K (175°C). The boiling point of the test substance could not be determined at atmospheric pressure because of decomposition of the test substance.

Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Internationally accepted method, EPI-Suite EPA (USA)
Principles of method if other than guideline:
EPI-Suite MPBPWIN v1.43
GLP compliance:
no
Type of method:
other: estimated by calculation
Boiling pt.:
491.19 °C
Remarks on result:
other: (Adapted Stein & Brown method)

EPISUITE: no data provided on pressure.

Conclusions:
Boiling point EPISUITE = 491.19 ºC (Adapted Stein & Brown method) (MPBPWIN v1.43)
Executive summary:

Boiling point EPISUITE = 491.19 ºC (Adapted Stein & Brown method) (MPBPWIN v1.43)

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Handbook
Principles of method if other than guideline:
No data provided on test method.
GLP compliance:
not specified
Boiling pt.:
217 °C
Atm. press.:
1 mm Hg
Conclusions:
Boiling point: 217 ºC (1 mm)
Executive summary:

Boiling point: 217 ºC (1 mm)

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Handbook
Principles of method if other than guideline:
No data provided on test method.
GLP compliance:
not specified
Boiling pt.:
289 °C
Atm. press.:
40 mm Hg
Boiling pt.:
250 °C
Atm. press.:
10 mm Hg
Conclusions:
Boiling point: 289 ºC (40 mm); 250 ºC (10 mm)
Executive summary:

Boiling point: 289 ºC (40 mm); 250 ºC (10 mm)

Description of key information

The boiling temperature of the test substance under reduced pressure, 0.48 mbar, is 448 K (175 °C). Under atmospheric pressure the test substance decomposed before boiling.

Key value for chemical safety assessment

Additional information

The boiling temperature of the test substance under reduced pressure, 0.48 mbar, is 448 K (175 °C). Under atmospheric pressure the test substance decomposed before boiling. The experimental data are consistent with handbook data quoting the following values under reduced pressure: 217 ºC (1 mm); 289 ºC (40 mm); 250 ºC (10 mm)

Estimated data: Boiling point EPISUITE = 491.19 ºC (Adapted Stein & Brown method) (MPBPWIN v1.43)