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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:
September 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted according to OECD 104 and EU A.4 guidelines, under GLP without deviation and with certificate of analysis included.
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to other study
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 (incl. QA statement)
Type of method:
static method
Temp.:
20 °C
Vapour pressure:
409 Pa
Temp.:
25 °C
Vapour pressure:
532 Pa

The calculation results are presented in the following table:

Calculated values for 1/T and log P

n

t

P

T

1/T

log P

 

°C

mbar = hPa

K

1/K

log P (Pa)

1

20.2

3.90

293.35

0.00340890

2.5911

2

27.0

5.50

300.15

0.00333167

2.7404

3

27.2

5.60

300.35

0.00332945

2.7482

4

27.4

5.70

300.55

0.00332723

2.7559

5

33.2

7.60

306.35

0.00326424

2.8808

6

34.6

8.50

307.75

0.00324939

2.9294

7

42.3

12.10

315.45

0.00317007

3.0820

8

49.6

16.80

322.75

0.00309837

3.2253

9

44.8

14.0

317.95

0.00314515

3.1461

10

53.6

20.90

326.75

0.00306044

3.3201

11

52.6

19.00

325.75

0.00306984

3.2788

12

59.0

24.70

332.15

0.00301069

3.3927

13

61.7

28.30

334.85

0.00298641

3.4518

14

65.0

32.00

338.15

0.00295727

3.5051

15

59.3

26.20

332.45

0.00300797

3.4183

16

54.2

20.90

327.35

0.00305483

3.3201

17

52.6

19.60

325.75

0.00306984

3.2923

18

49.0

17.00

322.15

0.00310414

3.2304

19

47.6

15.80

320.75

0.00311769

3.1987

20

43.3

13.50

316.45

0.00316006

3.1303

21

40.0

11.60

313.15

0.00319336

3.0645

22

31.3

7.80

304.45

0.00328461

2.8921

23

22.5

5.50

295.65

0.00338238

2.7404

The parameters for the linear regression are presented in the following table:

Linear Regression Parameters

Parameter

Value

Slope B

-1984.32

Intercept A

9.381

Correlation coefficient r

-0.9966

Using the equation log P = B*1/T + A, values of vapour pressure at room temperature and boiling point were calculated as:

Calculated Values for vapour pressure

Parameter

Value

Unit

Vapour Pressure (20 °C)

409

Pa

Vapour Pressure (25 °C)

532

Pa

Boiling Point

453.53

K

Boiling Point

180.38

°C

 

Conclusions:
Using the static method according to OECD 104 guideline and EU method A.4, vapour pressures of 409 Pa at 20 °C and 532 Pa at 25 °C were estimated.
These values were calculated from the regression of 21 individual measurements.
Executive summary:

The vapour pressure of the test item was calculated as 409 Pa at 20 °C and as 532 Pa at 25.0 °C.

The correlation coefficient r being -0.9966, the linear regression is very good and the results are considered as valid. No observations were made which might cause doubts concerning the validity of the study outcome.

Description of key information

Using the static method, vapour pressures of 409 Pa at 20 °C and 532 Pa at 25 °C were determined.
These values were calculated from the regression of 23 individual measurements.

Key value for chemical safety assessment

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

Additional information

A key study was conducted according to OECD 104 and EU A.4 guidelines, under GLP without deviation and with certificate of analysis included. Therefore the value obtained in this study may be proposed as a key value.

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