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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:
2009-10-20 to 2010-02-05
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: A GLP study conducted to current accepted guidelines.
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
With the exception of the Boiling Temperature calculation, the work described was performed in compliance with UK GLP standards (Schedule 1, Good Laboratory Practice Regulations 1999 (SI 1999/3106 as amended by SI 2004/0994)).
Type of method:
differential scanning calorimetry
Remarks:
(DSC)
Boiling pt.:
699 K
Atm. press.:
99.36 kPa
Decomposition:
yes
Decomp. temp.:
>= 435 K

Table 2: Thermographic Data – Determination 1

Thermal Event

Interpretation

Temperature

ºC

K

Exotherm

Onset of decomposition

161.77

435

Peak decomposition

210.52

484

Atmospheric pressure: 99.36 kPa

 

Table 3: Thermographic Data – Determination 2

Thermal Event

Interpretation

Temperature

ºC

K

Exotherm

Onset of decomposition

164.74

438

Peak decomposition

210.28

483

Atmospheric pressure: 99.36 kPa

Overall result: decomposition from approximately 435 K

 

As the test material decomposed, no value for the boiling temperature could be determined experimentally. However, using an adaptation of the Stein and Brown method, MPBPWIN version 1.43, ©2000 US Environmental Protection Agency, the boiling temperature was calculated to be 699 K.
Conclusions:
The test material has been determined to decompose from approximately 435 K at 99.36 kPa. As the test material decomposed, no value for boiling temperature could be determined. A calculated value of boiling temperature gave a result of 699 K.

Description of key information

The boiling point of 6-Aminopenicillanic acid was calculated by the EU method A2 and the an adaptation of the Stein and Brown Method MPBPWIN version 1.43, ©2000 US Environmental Protection Agency in the report by Fox and White 2010.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
699 K

Additional information

The atmospheric pressure was recorded at 99.6 kPa