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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05 September - 07 October 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. Test substance is adequately specified. Therefore full validation applies.
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
GLP compliance:
yes
Type of method:
effusion method: Knudsen cell
Specific details on test material used for the study:
Molecular weight: For the calculation of the vapour pressure a molecular mass range of 180 - 12 600 g/mol was used.
Key result
Test no.:
#1
Temp.:
ca. 20 °C
Vapour pressure:
>= 0 - <= 0 Pa
Remarks on result:
other:
Remarks:
The results were extrapolated from the regression equation and the limit values of the molecular mass of the test item
Key result
Test no.:
#2
Temp.:
ca. 25 °C
Vapour pressure:
>= 0 - <= 0 Pa
Remarks on result:
other:
Remarks:
The results were extrapolated from the regression equation and the limit values of the molecular mass of the test item

Findings

Sample Weights

The mass of sample in the respective cell is presented in the following table:

Table 4.6/4.-Sample Weights

Parameter

Cell empty

Cell + test item

Cell + test item + cap

Test item

Unit

g

g

g

g

Knudsen-cell 1

2.60932

3.25323

3.50733

0.64391

Knudsen-cell 2

2.59256

3.22867

3.48585

0.63611

Knudsen-cell 3

2.56982

3.22749

3.48377

0.65767

Knudsen-cell 4

2.56323

3.20617

3.46515

0.64294

Measurement Data

The data of the evaluated experiments is presented in the following tables:

Table 4.6/5.- Measurement Data Experiment 1

Experiment

1

 

 

 

Nom. Temperature

30

 °C

 

 

Date and time START

 

05.09.2016 16:15

06.09.2016 14:00

07.09.2016 13:55

Date and time END

 

06.09.2016 12:40

07.09.2016 11:30

08.09.2016 12:43

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

3.50733

3.47828

3.47647

3.47455

Knudsen-cell 2

3.48585

3.45706

3.45522

3.45331

Knudsen-cell 3

3.48377

3.45396

3.45210

3.45015

Knudsen-cell 4

3.46515

3.43583

3.43401

3.43214

Table 4.6/6    Measurement Data Experiment 2

Experiment

2

 

 

 

Nom. Temperature

45

 °C

 

 

Date and time START

 

08.09.2016 13:30

12.09.2016 07:58

13.09.2016 13:40

Date and time END

 

09.09.2016 12:50*

13.09.2016 12:48

14.09.2016 12:35

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

3.47455

3.47173

3.47187

3.47127

Knudsen-cell 2

3.45331

3.45060

3.45071

3.45016

Knudsen-cell 3

3.45015

3.44727

3.44738

3.44682

Knudsen-cell 4

3.43214

3.42935

3.42949

3.42883

*The samples were stored in an exsiccator after the weighings until start of the next measurement series due to organisational reasons.


Table 4.6/7.- Measurement Data Experiment 3

Experiment

3

 

 

 

Nom. Temperature

60

 °C

 

 

Date and time START

 

14.09.2016 13:25

19.09.2016 13:00

20.09.2016 13:55

Date and time END

 

15.09.2016 12:50*

20.09.2016 12:45

21.09.2016 12:50

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

3.47127

3.47100

3.47080

3.47063

Knudsen-cell 2

3.45016

3.44991

3.44967

3.44947

Knudsen-cell 3

3.44682

3.44654

3.44629

3.44612

Knudsen-cell 4

3.42883

3.42858

3.42844

3.42827

*The samples were stored in an exsiccator after the weighings until start of the next measurement series due to organisational reasons.

Table 4.6/8.- Measurement Data Experiment 4

Experiment

4

 

 

 

Nom. Temperature

75

°C

 

 

Date and time START

 

21.09.2016 14:20

22.09.2016 13:57

26.09.2016 09:35

Date and time END

 

22.09.2016 12:38

23.09.2016 12:50*

27.09.2016 12:42

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

3.47063

3.47008

3.46958

3.46912

Knudsen-cell 2

3.44947

3.44903

3.44847

3.44806

Knudsen-cell 3

3.44612

3.44556

3.44495

3.44446

Knudsen-cell 4

3.42827

3.42773

3.42707

3.42656

*The samples were stored in an exsiccator after the weighings until start of the next measurement series due to organisational reasons.

Table 4.7/9.- Measurement Data Experiment 5

Experiment

5

 

 

 

Nom. Temperature

90

°C

 

 

Date and time START

 

27.09.2016 13:30

28.09.2016 13:11

29.09.2016 14:00

Date and time END

 

28.09.2016 12:47

29.09.2016 13:00

30.09.2016 13:20*

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

3.46912

3.46753

3.46592

3.46521

Knudsen-cell 2

3.44806

3.44666

3.44529

3.44467

Knudsen-cell 3

3.44446

3.44303

3.44150

3.44073

Knudsen-cell 4

3.42656

3.42476

3.42340

3.42255

*The samples were stored in an exsiccator after the weighings until start of the next measurement series due to organisational reasons.

 

Table 4.6/10.- Measurement Data Experiment 6

Experiment

6

 

 

 

Nom. Temperature

105

°C

 

 

Date and time START

 

04.10.2016 11:00

05.10.2016 11:43

06.10.2016 11:40

Date and time END

 

05.10.2016 10:30

06.10.2016 10:40

07.10.2016 10:30

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

3.46521

3.46056

3.45866

3.45712

Knudsen-cell 2

3.44467

3.44084

3.43891

3.43750

Knudsen-cell 3

3.44073

3.43635

3.43431

3.43286

Knudsen-cell 4

3.42255

3.41780

3.41571

3.41404

 

Observations

At 105 °C: At the first measurement of 105 °C it was observed that the test item became darker. To avoid bias the whole measurements of 105 °C were not used for calculation.

The molecular weight  range used for the calculation was 180 - 12 600g/mol :

 

Calculation Results for the molecular mass of 180 g/mol

All calculation results are given in the tables below and on the following pages.

In all tables, E-0X represents multiplication with 10-X.

Table 4.6/11.- Calculation Results Experiment 3

Experiment

3

 

 

 

 

 

 

 

 

Real Temperature in K

333.2

 

 

 

 

 

 

 

 

Real Temperature in °C

60.0

 

 

 

 

 

 

 

 

Date of Measurement

15.09.2016 12:50

20.09.2016 12:45

21.09.2016 12:50

Elapsed Time in s

84300

85500

82500

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00027

yes

1.40E-03

0.00020

yes

1.02E-03

0.00017

yes

8.98E-04

Knudsen-cell 2

0.00025

yes

1.29E-03

0.00024

yes

1.22E-03

0.00020

yes

1.06E-03

Knudsen-cell 3

0.00028

yes

1.45E-03

0.00025

yes

1.27E-03

0.00017

yes

8.98E-04

Knudsen-cell 4

0.00025

yes

1.29E-03

0.00014

yes

7.13E-04

0.00017

yes

8.98E-04

Mean

 

yes

1.36E-03

 

yes

1.06E-03

 

yes

9.37E-04

Standard deviation:

 

 

7.75E-05

 

 

2.54E-04

 

 

7.92E-05

Mean of all measured values:

 

1.117E-03

 

 

 

 

 

 

Standard deviation of mean values:

 

2.159E-04

RSD:

19.3%

 

 

 

 

 Table 4.6/12.- Calculation Results Experiment 4

Experiment

4

 

 

 

 

 

 

 

 

Real Temperature in K

348.2

 

 

 

 

 

 

 

 

Real Temperature in °C

75.0

 

 

 

 

 

 

 

 

Date of Measurement

22.09.2016 12:38

23.09.2016 12:50

27.09.2016 12:42

Elapsed Time in s

80280

82380

97620

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00055

yes

3.05E-03

0.00050

yes

2.70E-03

0.00046

yes

2.10E-03

Knudsen-cell 2

0.00044

yes

2.44E-03

0.00056

yes

3.03E-03

0.00041

yes

1.87E-03

Knudsen-cell 3

0.00056

yes

3.11E-03

0.00061

yes

3.30E-03

0.00049

yes

2.24E-03

Knudsen-cell 4

0.00054

yes

3.00E-03

0.00066

yes

3.57E-03

0.00051

yes

2.33E-03

Mean

 

yes

2.90E-03

 

yes

3.15E-03

 

yes

2.13E-03

Standard deviation:

 

 

3.08E-04

 

 

3.70E-04

 

 

1.98E-04

Mean of all measured values:

 

2.726E-03

 

 

 

 

 

 

Standard deviation of mean values:

 

5.294E-04

RSD:

19.4%

 

 

 

 

Table 4.6/13.- Calculation Results Experiment 5

Experiment

5

 

 

 

 

 

 

 

 

Real Temperature in K

363.2

 

 

 

 

 

 

 

 

Real Temperature in °C

90.0

 

 

 

 

 

 

 

 

Date of Measurement

28.09.2016 12:47

29.09.2016 13:00

30.09.2016 13:20

Elapsed Time in s

83820

85740

84000

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00159

yes

8.63E-03

0.00161

yes

8.54E-03

0.00071

yes

3.84E-03

Knudsen-cell 2

0.00140

yes

7.60E-03

0.00137

yes

7.27E-03

0.00062

yes

3.36E-03

Knudsen-cell 3

0.00143

yes

7.76E-03

0.00153

yes

8.12E-03

0.00077

yes

4.17E-03

Knudsen-cell 4

0.00180

yes

9.77E-03

0.00136

yes

7.21E-03

0.00085

yes

4.60E-03

Mean

 

yes

8.44E-03

 

yes

7.78E-03

 

yes

3.99E-03

Standard deviation:

 

 

9.95E-04

 

 

6.52E-04

 

 

5.26E-04

Mean of all measured values:

 

6.738E-03

 

 

 

 

 

 

Standard deviation of mean values:

 

2.400E-03

RSD:

35.6%

 

 

 

 

Calculation Results for the molecular mass of 12600 g/mol

All calculation results are given in the tables below and on the following pages.

In all tables, E-0X represents multiplication with 10-X.

Table 4.6/14.- Calculation Results Experiment 3

Experiment

3

 

 

 

 

 

 

 

 

Real Temperature in K

333.2

 

 

 

 

 

 

 

 

Real Temperature in °C

60.0

 

 

 

 

 

 

 

 

Date of Measurement

15.09.2016 12:50

20.09.2016 12:45

21.09.2016 12:50

Elapsed Time in s

84300

85500

82500

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00027

yes

1.67E-04

0.00020

yes

1.22E-04

0.00017

yes

1.07E-04

Knudsen-cell 2

0.00025

yes

1.54E-04

0.00024

yes

1.46E-04

0.00020

yes

1.26E-04

Knudsen-cell 3

0.00028

yes

1.73E-04

0.00025

yes

1.52E-04

0.00017

yes

1.07E-04

Knudsen-cell 4

0.00025

yes

1.54E-04

0.00014

yes

8.52E-05

0.00017

yes

1.07E-04

Mean

 

yes

1.62E-04

 

yes

1.26E-04

 

yes

1.12E-04

Standard deviation:

 

 

9.26E-06

 

 

3.04E-05

 

 

9.47E-06

Mean of all measured values:

 

1.335E-04

 

 

 

 

 

 

Standard deviation of mean values:

 

2.580E-05

RSD:

19.3%

 

 

 

 


Table 4.6/15.- Calculation Results Experiment 4

Experiment

4

 

 

 

 

 

 

 

 

Real Temperature in K

348.2

 

 

 

 

 

 

 

 

Real Temperature in °C

75.0

 

 

 

 

 

 

 

 

Date of Measurement

22.09.2016 12:38

23.09.2016 12:50

27.09.2016 12:42

Elapsed Time in s

80280

82380

97620

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00055

yes

3.65E-04

0.00050

yes

3.23E-04

0.00046

yes

2.51E-04

Knudsen-cell 2

0.00044

yes

2.92E-04

0.00056

yes

3.62E-04

0.00041

yes

2.24E-04

Knudsen-cell 3

0.00056

yes

3.71E-04

0.00061

yes

3.94E-04

0.00049

yes

2.67E-04

Knudsen-cell 4

0.00054

yes

3.58E-04

0.00066

yes

4.26E-04

0.00051

yes

2.78E-04

Mean

 

yes

3.46E-04

 

yes

3.76E-04

 

yes

2.55E-04

Standard deviation:

 

 

3.69E-05

 

 

4.43E-05

 

 

2.37E-05

Mean of all measured values:

 

3.259E-04

 

 

 

 

 

 

Standard deviation of mean values:

 

6.327E-05

RSD:

19.4%

 

 

 

 

Table 4.6/16.- Calculation Results Experiment 5

Experiment

5

 

 

 

 

 

 

 

 

Real Temperature in K

363.2

 

 

 

 

 

 

 

 

Real Temperature in °C

90.0

 

 

 

 

 

 

 

 

Date of Measurement

28.09.2016 12:47

29.09.2016 13:00

30.09.2016 13:20

Elapsed Time in s

83820

85740

84000

Parameter

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Weight loss

to be used

Vapour pressure

Unit

g

yes/no

Pa

g

yes/no

Pa

g

yes/no

Pa

Knudsen-cell 1

0.00159

yes

1.03E-03

0.00161

yes

1.02E-03

0.00071

yes

4.59E-04

Knudsen-cell 2

0.00140

yes

9.08E-04

0.00137

yes

8.69E-04

0.00062

yes

4.01E-04

Knudsen-cell 3

0.00143

yes

9.27E-04

0.00153

yes

9.70E-04

0.00077

yes

4.98E-04

Knudsen-cell 4

0.00180

yes

1.17E-03

0.00136

yes

8.62E-04

0.00085

yes

5.50E-04

Mean

 

yes

1.01E-03

 

yes

9.30E-04

 

yes

4.77E-04

Standard deviation:

 

 

1.19E-04

 

 

7.79E-05

 

 

6.28E-05

Mean of all measured values:

 

8.053E-04

 

 

 

 

 

 

Standard deviation of mean values:

 

2.868E-04

RSD:

35.6%

 

 

 

 

Evaluation

The measured values for temperature and vapour pressure were evaluated as follows:

Table 4.6/17.- Evaluation of Calculated Values for the molecular mass of 180 g/mol

Parameter

T

Mean P

1/T

log P

Unit

K / °C

Pa

1/K

log Pa

Values

333.2 / 60

1.12E-03

3.0012E-03

-2.9520

348.2 / 75

2.73E-03

2.8719E-03

-2.5644

363.2 / 90

6.74E-03

2.7533E-03

-2.1715

In this table, E-0X represents multiplication with 10-X.

Table 4.6/18.- Evaluation of Calculated Values for the molecular mass of 12600 g/mol

Parameter

T

Mean P

1/T

log P

Unit

K / °C

Pa

1/K

log Pa

Values

333.2 / 60

1.33E-04

3.0012E-03

-3.8745

348.2 / 75

3.26E-04

2.8719E-03

-3.4870

363.2 / 90

8.05E-04

2.7533E-03

-3.0940

In this table, E-0X represents multiplication with 10-X.

Graphs with log P vs. 1/T were plotted. Since the values were correlated by a linear relation, the data could be fitted by linear regression. The Graph for the molecular mass of 180 g/mol and the Graph for the molecular mass of 12600 g/mol could be seen in the report.

Table 4.6 /19.- Parameters of Linear Regression for the molecular mass of 180 g/mol

Parameter

Value

Slope

-3146.3

Intercept

6.4844

Correlation Coefficient r

-0.9996

Coefficient of Determination r2

0.9992

 

Table 4.6/20.- Parameters of Linear Regression for the molecular mass of 12600 g/mol

Parameter

Value

Slope

-3146.3

Intercept

5.5618

Correlation Coefficient r

-0.9996

Coefficient of Determination r2

0.9992

 


Results

The following vapour pressures were determined experimentally and considered as valid (mean and standard deviation given):

Table 4.6/21.- Experimentally Determined Vapour Pressures for the molecular mass of 180 g/mol

T

T

P

Stand. Dev. P

RSD P

°C

K

Pa

Pa

%

60.0

333.2

1.12E-03

2.16E-04

19.3

75.0

348.2

2.73E-03

5.29E-04

19.4

90.0

363.2

6.74E-03

2.40E-03

35.6

Table 4.6/22.- Experimentally Determined Vapour Pressures for the molecular mass of 180 g/mol

T

T

P

Stand. Dev. P

RSD P

°C

K

Pa

Pa

%

60.0

333.2

1.33E-04

2.58E-05

19.3

75.0

348.2

3.26E-04

6.33E-05

19.4

90.0

363.2

8.05E-04

2.87E-04

35.6

The linear regression of log P vs. 1/T gave a correlation coefficient r of - 0.9996, showing good repeatability and precision. Therefore, the determination is considered as valid.

 

For the test item, the following ranges of the vapour pressure at 20 °C and at 25 °C were extrapolated from the regression equation and the limit values of the molecular mass of the test item:

 

Vapour pressure at 20°C:

6.75* 10-06Pa- 5.65* 10-05Pa

Vapour pressure at 25°C:

1.02* 10-05Pa- 8.55* 10-05Pa


Conclusions:
The vapor pressure of the test substance has been determined to be between 1.02 * 10-05 Pa and 8.55 * 10-05 Pa at 25 °C and between 6.75 * 10-06 Pa and 5.65 * 10-05 Pa at 20°C.
Low volatility (based on volatility bands criteria for occupational exposure (ECHA guidance R14, v2.1, 2012), < 500 Pa).
Executive summary:

The vapour pressure of the test substance was measured under GLP according to OECD 104 / EU A4 guideline using a effusion method (knudsen cell). Six determinations were conducted at 30, 45, 60, 75 and 105°C,but experience of 30, 45 and 105°C were not used to avoid bias the whole measurements.

The linearity obtained after series testing of the cells for 3 replicates x 3 temperatures (without sample renewal) shows there is no high difference in volatility of the constituents of the substance in the measuring range. However, extrapolation should be considered with caution.

Vapour pressure at 20 and 25°C was extrapolated from the regression and the limited values of the molecular mass of the test item.

The vapor pressure of the test substance has been determined to be between 1.02 * 10-05 Pa and 8.55 * 10-05 Pa at 25 °C and between 6.75 * 10-06 Pa and 5.65 * 10-05 Pa at 20°C.

Description of key information

Low volatility. The key value, 3.1625 10-5 Pa, is the mean of the 2 limit values:

Vapour pressure at 20°C:

6.75* 10-06Pa- 5.65* 10-05Pa

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
20 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as a key study.

Six determinations were conducted at 30, 45, 60, 75 and 105°C,but experience of 30, 45 and 105°C were not used to avoid bias the whole measurements.

The linearity obtained after series testing of the cells for 3 replicates x 3 temperatures (without sample renewal) shows there is no high difference in volatility of the constituents of the substance in the measuring range. However, extrapolation should be considered with caution.

Vapour pressure at 20 and 25°C was extrapolated from the regression and the limited values of the molecular mass of the test item.

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