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Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05. July- 26. Oct. 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to other study
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
effusion method: by loss of weight or by trapping vaporisate
Specific details on test material used for the study:
White powder.
Test no.:
#1
Temp.:
20 °C
Vapour pressure:
ca. 0 Pa
Remarks on result:
not determinable
Remarks:
decomposition of the substance at appr. 240°C (native sample)
Test no.:
#1
Temp.:
20 °C
Vapour pressure:
0.001 Pa
Remarks on result:
other:
Remarks:
Propably the detected value accords to the impury (nicotinamide) of the sample (native sample).
Key result
Test no.:
#2
Temp.:
<= 150 °C
Remarks on result:
not determinable
Remarks:
Result with dried sample. No mass loss can be detected between 30 °C and 150 °C.Consequently, no vapour pressure can be calculated.
Transition / decomposition:
yes
Remarks:
decomposition at appr. 240°C
Transition temp.:
ca. 240 °C
Vapour pressure at 10°C below transition temperature:
123 Pa
Vapour pressure at 20°C below transition temperature:
4.21 Pa

No mass loss occured between 30 °C and 150 °C. Consequently, no vapour pressure can be calculated.

In contrast, mass losses can be detected in the native sample at temperatures from 105 °C to 165 °C and from 225 °C to 240 °C, whereas the sample weight remains nearly constant between 180 °C and 210 °C. The weight losses of the analysed native sample are given in the following table (table 1) and are shown graphically in the following figures 1 to 6 in the illustration part of this documentation.

Table 1: Weight loss and the related vapour pressure

Measured temperature [°C]  Weight loss vT [mg/L] log (|vT|) [-] log (pv) [log (Pa)]    Vapour pressure pv [Pa] 1/T [1/K] 
 106 -1.94x10^-4 -3.71  -0.28  0.52  2.64x10^-3 
 121 -1.48x10^-3  -2.83  0.59  3.90  2.54x10^-3 
 136 -4.83x10^-3  -2.36  1.06  11.4  2.45x10^-3 
 151 -9.19x10^-3  -2.04  1.37  23.6  2.36x10^-3 
 166 -5.47x10^-3  -2.26  1.15  14.2  2.28 x 10^-3 
 180 -9.76x10^-6  -5.01  -1.56  0.03  2.21x10^-3 
 196 -1.50x10^-4  -3.82  -0.39  0.41  2.13x10^-3 
 211 -1.60x^-3  -2.80  0.62  4.21  2.07x10^-3 
 226 -4.90x10^-2  -1.31  2.09  123  2.00x10^-3 
 241 -6.12x10^-1  -0.21  3.17  1494  1.94x10 ^-3 

The first mass loss confirms the finding described in the Analysis Report 5307/16-g "Determination of the Boiling Point of 1-Benzyl-3-Carbamoyl-Pyridinium, Chloride According to OECD Guideline 103" (dated 12. Jan. 2017) and indicates an impurity in the sample material. The mass loss was calculated between 120 °C and 150 °C and is 0.45 mg (corresponds to 2.1 %), which results in a vapour pressure of 6.8x10^-4 Pa at 20 °C and 1.2x10^-3 Pa at 25 °C.

The second mass loss was calculated between 210 °C and 240 °C and is 19.3 mg (corresponds to 90.4 %), which results in a vapour pressure of 3.0x10-28 Pa at 20 °C and 4.7x10-21 Pa at 25 °C. This high mass loss indicates a decomposition and is in good accordance to the Analysis Report 5307/16-g wherein a decomposition at approx. 240 °C was found. Due to these results a definite vapour pressure of the sample no. 5307/16 could not be specified.

Conclusions:
A definite vapour pressure could not be specified for 1-Benzyl-3-carbamoyl-pyridinium, chloride.
Executive summary:

The vapour pressure of 1-Benzyl-3-carbamoyl-pyridnium, chloride was investigated in accordance with OECD Guideline 104 (effusion method). The test was carried out with both,the native and the temperature treated sample material (dried in a drying cabinet at 130 °C for about 24 h).


The dried sample did not indicate a loss of mass during the investigation, hence, no vapour pressure could be calculated.

The native sample showed two mass losses: The first mass loss between 120°C and 150°C indicates a vapour pressure of 6.8x10^-4 Pa at 20 °C. This result can be explained by the impurity of the sample. A second mass loss occured between 210°C and 240°C, resulting in a vapour pressure of 3.0x10^-28 Pa at 20 °C. The mass loss of 19 mg within this temperature range indicates a decomposition of 1-Benzyl-3-carbamoyl-pyridinium, chloride. Within the determination of the boiling point (accorrding to OECD Guideline 103) a decomposition of the substance at 240°C was stated, which is in accordance of the results found in the present study report.

Due to these results a definite vapour pressure of the sample no. 5307/16 could not be specified.

Description of key information

The vapour pressure of 1-Benzyl-3-carbamoyl-pyridnium, chloride was investigated in accordance with OECD Guideline 104 (effusion method). The test was carried out with both, the native and the temperature treated sample material (dried in a drying cabinet at 130 °C for about 24 h).

No mass loss could be detected for the dried sample. The mass losses that could be seen at 120-150 °C and 210-240 °C in the native sample were related to impurities and decomposition of the test substance, respectively.

Thus, a definite vapour pressure could not be specified for 1-Benzyl-3-carbamoyl-pyridinium, chloride.

Key value for chemical safety assessment

Additional information