1-benzyl-3-carbamoylpyridinium chloride

Vapour pressure

Link to relevant study record(s)

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.