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Physical & Chemical properties

Vapour pressure

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Link to relevant study record(s)

Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
20. Nov. 2017 to 11. Jan. 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
OECD Guidelines for the Testing of Chemicals, Method No. 104, adopted 23. Mar. 2006: “Vapour Pressure“
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Version / remarks:
Commission Regulation (EC) No 761/2009 of 23. July 2009, published on 24. Aug. 2009 Method A.4: “Vapour Pressure”
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
effusion method: Knudsen cell
Specific details on test material used for the study:
No further details specified in the study report.
Key result
Temp.:
20 °C
Vapour pressure:
0 Pa
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa

FINDINGS

Sample Weights

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

Sample Weights

Parameter

Cell empty

Cell + test item

Cell + test item + cap

Test item

Unit

g

g

g

g

Knudsen-cell 1

2.57217

3.84333

4.05906

1.27116

Knudsen-cell 2

2.56434

3.61688

3.83141

1.05254

Knudsen-cell 3

2.55837

3.78650

3.99809

1.22813

Knudsen-cell 4

2.55590

3.78220

3.99631

1.22630

 

Measurement Data

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

Measurement Data Experiment 1

Experiment

1

 

 

 

Nom. Temperature

30

°C

 

 

Date and time START

 

20.11.2017 14:45

21.11.2017 12:55

22.11.2017 12:00

Date and time END

 

21.11.2017 10:55

22.11.2017 10:55

23.11.2017 11:10

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

4.05906

4.06040

4.05939

4.05913

Knudsen-cell 2

3.83141

3.83215

3.83158

3.83127

Knudsen-cell 3

3.99809

3.99831

3.99786

3.99766

Knudsen-cell 4

3.99631

3.99643

3.99612

3.99605

 

Measurement Data Experiment 2

Experiment

2

 

 

 

Nom. Temperature

45

°C

 

 

Date and time START

 

23.11.2017 12:15

27.11.2017 11:20

28.11.2017 12:25

Date and time END

 

24.11.2017 11:15*

28.11.2017 11:25

29.11.2017 11:25

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

4.05913

4.05917

4.05884

4.05882

Knudsen-cell 2

3.83127

3.83130

3.83102

3.83105

Knudsen-cell 3

3.99766

3.99757

3.99731

3.99729

Knudsen-cell 4

3.99605

3.99611

3.99567

3.99564

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

 

Measurement Data Experiment 3

Experiment

3

 

 

 

Nom. Temperature

60

°C

 

 

Date and time START

 

29.11.2017 12:15

30.11.2017 12:30

01.12.2017 11:30

Date and time END

 

30.11.2017 11:20

01.12.2017 10:35

02.12.2017 08:30

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

4.05882

4.05930

4.05929

4.05926

Knudsen-cell 2

3.83105

3.83108

3.83110

3.83111

Knudsen-cell 3

3.99729

3.99726

3.99727

3.99725

Knudsen-cell 4

3.99564

3.99574

3.99572

3.99571

 

Measurement Data Experiment 4

Experiment

4

 

 

 

Nom. Temperature

75

°C

 

 

Date and time START

 

02.12.2017 09:45

03.12.2017 11:38

04.12.2017 12:20

Date and time END

 

03.12.2017 09:59

04.12.2017 11:30

05.12.2017 11:25

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

4.05926

4.05869

4.05723

4.05709

Knudsen-cell 2

3.83111

3.83107

3.82953

3.82950

Knudsen-cell 3

3.99725

3.99724

3.99594

3.99587

Knudsen-cell 4

3.99571

3.99574

3.99427

3.99418

 

Measurement Data Experiment 5

Experiment

5

 

 

 

Nom. Temperature

90

°C

 

 

Date and time START

 

05.12.2017 12:20

06.12.2017 11:30

07.12.2017 12:00

Date and time END

 

06.12.2017 10:40

07.12.2017 11:10

08.12.2017 10:30*

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

4.05709

4.05405

4.05008

4.04472

Knudsen-cell 2

3.82950

3.82687

3.82464

3.82295

Knudsen-cell 3

3.99587

3.99158

3.98872

3.98646

Knudsen-cell 4

3.99418

3.99140

3.98908

3.98743

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

 

Measurement Data Experiment 6

Experiment

6

 

 

 

Nom. Temperature

105

°C

 

 

Date and time START

 

11.12.2017 11:45

12.12.2017 12:40

13.12.2017 12:25

Date and time END

 

12.12.2017 11:45

13.12.2017 11:30

14.12.2017 11:50*

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

4.04472

4.03104

4.01459

4.00393

Knudsen-cell 2

3.82295

3.81353

3.79959

3.79031

Knudsen-cell 3

3.98646

3.97550

3.95978

3.95030

Knudsen-cell 4

3.98743

3.97768

3.96579

3.95628

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

 

Measurement Data Experiment 7

Experiment

7

 

 

 

Nom. Temperature

120

°C

 

 

Date and time START

 

18.12.2017 12:55

19.12.2017 14:25

20.12.2017 11:55

Date and time END

 

19.12.2017 13:25

20.12.2017 11:10

21.12.2017 11:20*

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

4.00393

3.93882

3.89757

3.85254

Knudsen-cell 2

3.79031

3.74104

3.70185

3.66479

Knudsen-cell 3

3.95030

3.90250

3.86610

3.82977

Knudsen-cell 4

3.95628

3.89858

3.86000

3.82196

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

 

Measurement Data Experiment 8

Experiment

8

 

 

 

Nom. Temperature

135

°C

 

 

Date and time START

 

08.01.2017 12:35

09.01.2018 12:15

10.01.2018 11:55

Date and time END

 

09.01.2018 11:15

10.01.2018 11:05

11.01.2018 11:15

Parameter

Weight m

Weight m

Weight m

Weight m

Unit

g

g

g

g

Knudsen-cell 1

3.858254

3.75180

3.67214

3.63476

Knudsen-cell 2

3.66479

3.57922

3.51122

3.48050

Knudsen-cell 3

3.82977

3.74176

3.66985

3.63605

Knudsen-cell 4

3.82196

3.73000

3.65591

3.62117

 

Observations

30 °C. At the first measurement of experiment 1, all cells were contaminated. Therefore, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, this measurement was not used for calculations.

75 °C. At the first measurement of experiment 4, all cells were contaminated. Therefore, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, this measurement was not used for calculations.

 

CALCULATION OF RESULTS

Equation

The vapour pressure was calculated using the following equation:

       m       2πRT

p = ------ √ ---------

      KAt        M

 

With

Equation Parameters

Parameter

Explanation

Source/Value

p

Vapour pressure in Pa

To be calculated

m

Weight loss in kg

Value given in tables is divide by 1000

t

Time in s

As given in tables

A

Area of aperture in m2

7.854 * 10-/m2

K

Correction factor

0.909

R

Universal gas constant in J/Mol*K

8.314472

T

Temperature in K

As given in tables

M

`molecular weight in kg/Mol

0.589

 

The correction constant is depending on the relation length/radius of the aperture of the Knudsen cell and is stated in the literature as follows:

Correction factor K

Relation

0.2

K

0.909

 

With the chosen length of the aperture 0.1 mm and the chosen radius 0.5 mm, a relation of 0.2 was calculated, and a correction factor of 0.909 was chosen.

 

Calculation Results

All calculation results of reproducible weight loss are given in the tables below. Experiment 1-4 and 8 (nominal temperature 30 – 75 and 135 °C) showed no reproducible weight loss. Therefore they were not used for calculation.

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

 

Calculation Results Experiment 5

Experiment

5

 

 

 

 

 

 

 

 

Real Temperature in K

363.2

 

 

 

 

 

 

 

 

Real Temperature in °C

90.0

 

 

 

 

 

 

 

 

Date of Measurement

06.12.2017 10:40

07.12.2017 11:10

08.12.2017 10:30

Elapsed Time in s

80400

85200

81000

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

0.00304

yes

9.51E-03

0.00397

yes

1.17E-02

0.00536

yes

1.66E-02

Knudsen-cell 2

0.00263

yes

8.22E-03

0.00223

yes

6.58E-03

0.00169

yes

5.25E-03

Knudsen-cell 3

0.00429

yes

1.34E-02

0.00286

yes

8.44E-03

0.00226

yes

7.01E-03

Knudsen-cell 4

0.00278

yes

8.69E-03

0.00232

yes

6.85E-03

0.00165

yes

5.12E-03

Mean

 

yes

9.96E-03

 

yes

8.39E-03

 

yes

8.50E-03

Standard deviation:

 

 

2.36E-03

 

 

2.36E-03

 

 

5.49E-03

Mean of measured values:

 

8.953E-03

 

 

 

 

 

 

Standard deviation:

 

8.733E-04

RSD:

9.8%

 

 

 

 

 

Calculation Results Experiment 6

Experiment

6

 

 

 

 

 

 

 

 

Real Temperature in K

378.2

 

 

 

 

 

 

 

 

Real Temperature in °C

105.0

 

 

 

 

 

 

 

 

Date of Measurement

12.12.2017 11:45

13.12.2017 11:30

14.12.2017 11:50

Elapsed Time in s

86400

82200

84300

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

0.01368

yes

4.06E-02

0.01645

yes

5.13E-02

0.01066

yes

3.24E-02

Knudsen-cell 2

0.00942

yes

2.80E-02

0.01394

yes

4.35E-02

0.00928

yes

3.82E-02

Knudsen-cell 3

0.01096

yes

3.25E-02

0.01572

yes

4.91E-02

0.00948

yes

2.88E-02

Knudsen-cell 4

0.00975

yes

2.89E-02

0.01189

yes

3.71E-02

0.00951

yes

2.89E-02

Mean

 

yes

3.25E-02

 

yes

4.53E-02

 

yes

2.96E-02

Standard deviation:

 

 

5.75E-03

 

 

6.35E-03

 

 

1.91E-03

Mean of measured values:

 

3.580E-02

 

 

 

 

 

 

Standard deviation:

 

8.317E-03

RSD:

23.2%

 

 

 

 

 

Calculation Results Experiment 7

Experiment

7

 

 

 

 

 

 

 

 

Real Temperature in K

393.2

 

 

 

 

 

 

 

 

Real Temperature in °C

120.0

 

 

 

 

 

 

 

 

Date of Measurement

19.12.2017 13:25

20.12.2017 11:10

21.12.2017 11:20

Elapsed Time in s

88200

74700

84300

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

0.06401

yes

1.90E-01

0.04235

yes

1.48E-01

0.04503

yes

1.40E-01

Knudsen-cell 2

0.04927

yes

1.46E-01

0.03919

yes

1.37E-01

0.03706

yes

1.15E-01

Knudsen-cell 3

0.04780

yes

1.42E-01

0.03640

yes

1.27E-01

0.03633

yes

1.13E-01

Knudsen-cell 4

0.05770

yes

1.71E-01

0.03858

yes

1.35E-01

0.03804

yes

1.18E-01

Mean

 

yes

1.62E-01

 

yes

1.37E-01

 

yes

1.21E-01

Standard deviation:

 

 

2.25E-02

 

 

8.61E-03

 

 

1.24E-02

Mean of measured values:

 

1.402E-01

 

 

 

 

 

 

Standard deviation:

 

2.060E-02

RSD:

14.7%

 

 

 

 

 

 

Evaluation

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

Evaluation of Calculated Values

Parameter

T

Mean p

1/T

Log p

Unit

K

Pa

1/K

Log Pa

Values

363.2

8.95E-03

2.7533E-03

-2.0480

378.2

3.58E-02

2.6441E-03

-1.4462

393.2

1.40E-01

2.5432E-03

-0.8532

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

 

A graph with log p vs. 1/T was plotted. Since the values were correlated by a linear relation, the data could be fitted by linear regression.

 

Parameters of Linear Regression

Parameter

Value

Slop

-5685.2

Intercept

13.5990

Correlation Coefficient r

-0.9998

Coefficient of Determination r2

0.9997

 

RESULTS

Test Item

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

Experimentally Determined Vapour Pressures

T

T

p

Stand. Dev. p

RSD p

°C

K

Pa

Pa

%

90.0

363.2

8.95E-03

8.73E-04

9.8%

105.0

378.2

3.58E-02

8.32E-03

23.2%

120.0

393.2

1.40E-01

2.06E-02

14.7%

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

Stand. Dev. = Standard Deviation; RSD = Relative Standard Deviation

 

For the test item Hatcol 1570, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:

Results Test Item

Vapour pressure at 20 °C:

1.60 * 10-06Pa

Vapour pressure at 25 °C:

3.39 * 10-06Pa

 

The linear regression of log p vs. 1/T gave a correlation coefficient r of - 0.9998, showing good repeatability and precision. Therefore, the determination is considered as valid.

 

Positive Control

Results Positive Control

Vapour pressure (positive control) at 30 °C:

2.03 * 10-1 Pa

Criteria for the vapour pressure of the positive control at 30 °C

1.44 * 10-1 ± 0.1 Pa

 

The vapour pressure met the validity criteria. Therefore the study can be considered as valid.

Conclusions:
The vapour pressure of the test item Hatcol 1570 was determined at eight different temperatures (30, 45, 60, 75, 90, 105, 120 and 135 °C) according to OECD 104 resp. EU A.4 using the effusion method (weight loss). Experiment 1-4 and 8 (nominal temperature 30 – 75 and 135 °C) showed only a poor reproducible weight loss. When visible contaminations, caused by explosive evaporation of the test item, were observed, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, these measurements were not used for calculations.
Three experiments could be evaluated as they showed relevant and reproducible weight loss. All evaluated experiments showed good reproducibility, giving relative standard deviations of less than 24 % (limit value from the guideline 30 %) and good correlation.
Therefore, the result of the test can be considered valid.
Executive summary:

Title of Study: Determination of the Vapour Pressure of Hatcol 1570 according to OECD 104 resp. EU A.4 using the effusion method: Knudsen Cell.

 

Findings and Results:

The vapour pressure of Hatcol 1570 was determined according to OECD 104 resp. EU A.4 using the effusion method (weight loss).

Vapour pressure was examined at eight different temperatures. Three temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, 1/T was plotted against log (p).

 

Vapour Pressures (Effusion Method)

Experiment No.

T

Mean p

Stand. Dev. P

RSD p

K

Pa

Pa

%

5

363.2

8.95E-03

8.73E-04

9.8%

6

378.2

3.58E-02

5.32E-03

23.2%

7

393.2

1.40E-01

2.06E-02

14.7%

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

Stand. Dev. = Standard Deviation; RSD = Relative Standard Deviation

 

The graph 1/T vs. log (p) shows a straight line with a correlation coefficient of - 0.9998.

 

For the test item Hatcol 1570, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:

Vapour pressure at 20 °C: 1.60 * 10-06Pa

Vapour pressure at 25 °C: 3.39 * 10-06Pa

Description of key information

For the test item Hatcol 1570, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:

Vapour pressure at 20 °C: 1.60 * 10-06Pa

Vapour pressure at 25 °C: 3.39 * 10-06Pa

Key value for chemical safety assessment

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

Additional information

The vapour pressure of Hatcol 1570 was determined according to OECD 104 resp. EU A.4 using the effusion method (weight loss).

Vapour pressure was examined at eight different temperatures. Three temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, 1/T was plotted against log (p).

 

Vapour Pressures (Effusion Method)

Experiment No.

T

Mean p

Stand. Dev. P

RSD p

K

Pa

Pa

%

5

363.2

8.95E-03

8.73E-04

9.8%

6

378.2

3.58E-02

5.32E-03

23.2%

7

393.2

1.40E-01

2.06E-02

14.7%

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

Stand. Dev. = Standard Deviation; RSD = Relative Standard Deviation

 

The graph 1/T vs. log (p) shows a straight line with a correlation coefficient of - 0.9998.

 

For the test item Hatcol 1570, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:

Vapour pressure at 20 °C: 1.60 * 10-06Pa

Vapour pressure at 25 °C: 3.39 * 10-06Pa