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Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
24 Jan - 26 Jan 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
2006
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Italian Ministry of Health, Rome, Italy
Type of method:
effusion method: Knudsen cell

Test material

Constituent 1
Chemical structure
Reference substance name:
Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile
EC Number:
947-727-8
Cas Number:
568591-00-4
Molecular formula:
C9H13N3
IUPAC Name:
Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile
Specific details on test material used for the study:
The test item was stored at room temperature in the dark.

Results and discussion

Vapour pressure
Temp.:
20 °C
Vapour pressure:
0.091 Pa
Remarks on result:
other: estimated result

Any other information on results incl. tables

The result of the thermogravimetric analysis for test item and the vapour pressure at 20 °C are given below in Table 1.

The test has been conducted in duplicate (Test A and Test B).

 

Data in the tables are rounded values taken from Excel spreadsheets which are archived together with the raw data. The use of Excel spreadsheets for calculations produces more accurate endpoints. These endpoints may slightly differ from the values derived by replacing the rounded values in the formulae given in the methods section.

Since the analysis was conducted under high vacuum conditions, the heat could be transferred only by radiation, this caused a consistent difference between the furnace temperature and the sample one and a considerable time for the system to reach equilibrium.

The temperatures reported (registered by the thermocouple under the Knudsen cell) are hence different from the one set and the mass loss has been measured only in 80 minutes time interval within each isotherm, after the system had reached equilibrium.

Table 1: Vapour pressure

Temperature

[°C]

Δm

[mg]

Δt

[min]

Temperature

[K]

27.8

0.1344

80

300.95

28.2

0.1430

80

301.35

33.8

0.2211

80

306.95

34.6

0.2254

80

307.75

40.0

0.3941

80

313.15

41.1

0.3969

80

314.25

46.3

0.6653

80

319.45

47.5

0.6758

80

320.65

53.1

1.1200

80

326.25

54.3

1.1305

80

327.45

63.4

1.9077

80

336.55

65.1

1.8793

80

338.25

70.6

3.7372

80

343.75

72.3

3.7268

80

345.45

78.6

7.2791

80

351.75

78.9

7.2062

80

352.05

85.4

14.2029

80

358.55

86.9

14.0743

80

360.05

 

Table 1 (continued)

1/Temperature

[1/K]

Δm/Δt

[kg/s]

Vapour pressure

[Pa]

log p

3.32E-03

2.80E-11

2.08E-01

-0.6821

3.32E-03

2.98E-11

2.21E-01

-0.6549

3.26E-03

4.61E-11

3.45E-01

-0.4616

3.25E-03

4.70E-11

3.53E-01

-0.4527

3.19E-03

8.21E-11

6.22E-01

-0.2063

3.18E-03

8.27E-11

6.27E-01

-0.2024

3.13E-03

1.39E-10

1.06E+00

0.0255

3.12E-03

1.41E-10

1.08E+00

0.0331

3.07E-03

2.33E-10

1.80E+00

0.2562

3.05E-03

2.36E-10

1.82E+00

0.2611

2.97E-03

3.97E-10

3.12E+00

0.4943

2.96E-03

3.92E-10

3.08E+00

0.4889

2.91E-03

7.79E-10

6.18E+00

0.7909

2.89E-03

7.76E-10

6.18E+00

0.7908

2.84E-03

1.52E-09

1.22E+01

1.0854

2.84E-03

1.50E-09

1.21E+01

1.0813

2.79E-03

2.96E-09

2.40E+01

1.3799

2.78E-03

2.93E-09

2.38E+01

1.3769

y = mx + q

Parameter m

(slope)

Parameter q

(intercept)

Parameter R2

(correlation)

-3692

12

0.99174

Extrapolation

at 20 °C

1/Temperature

[1/K]

log p

Vapour pressure

[Pa]

0.00341

-1.0387

9.15E-02

 

Applicant's summary and conclusion