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Physical & Chemical properties

Vapour pressure

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Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010-05-26 to 2010-09-21
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
Key result
Temp.:
20 °C
Vapour pressure:
690 Pa
Temp.:
25 °C
Vapour pressure:
851 Pa

The calculation results are presented in the following table:

n

t

P

T

1/T

log(P)

 

°C

mbar

K

1/K

log Pa

1

20.9

7.0

294.05

0.00340078

2.8451

2

22.0

7.4

295.15

0.00338811

2.8692

3

26.8

8.7

299.95

0.00333389

2.9395

4

34.2

11.7

307.35

0.00325362

3.0682

5

37.3

13.2

310.45

0.00322113

3.1206

6

38.9

14.3

312.05

0.00320461

3.1553

7

43.0

16.6

316.15

0.00316306

3.2201

8

43.8

17.1

316.95

0.00315507

3.2330

9

45.0

17.9

318.15

0.00314317

3.2529

10

48.8

20.8

321.95

0.00310607

3.3181

11

54.5

25.5

327.65

0.00305204

3.4065

12

55.3

26.6

328.45

0.00304460

3.4249

13

52.4

24.5

325.55

0.00307172

3.3892

14

50.7

23.1

323.85

0.00308785

3.3636

15

48.6

21.3

321.75

0.00310800

3.3284

16

44.3

18.2

317.45

0.00315010

3.2601

17

41.0

16.0

314.15

0.00318319

3.2041

18

36.6

13.6

309.75

0.00322841

3.1335

19

35.1

12.8

308.25

0.00324412

3.1072

20

31.4

11.3

304.55

0.00328353

3.0531

21

27.6

10.0

300.75

0.00332502

3.0000

22

24.0

8.9

297.15

0.00336530

2.9494

Linear Regression Parameters

Parameter

Value

Slope B

-1584.44

Intercept A

8.244

Correlation coefficient r

-0.9963

Using the equation log P = B*1/T + A, values of vapour pressure at 20 and 25 °C were calculated.

Conclusions:
Using the static method according to guideline OECD 104 and EU method A.4, vapour pressures of 690 Pa at 20 °C and 851 Pa at 25 °C were estimated for the test item.
These values were calculated from the regression of 22 individual measurements.
Executive summary:

Vapour pressure of alpha-pinene multiconstituent was measured using static method according to OECD guideline 104 and EU method A.4. Thanks to the equation log P = B*1/T + A and the linear regression parameters of 22 individual measurements between 20.9 and 55.3 °C, the vapour pressure of the test item was calculated as 690 Pa at 20.0 °C and as 851 Pa at 25.0 °C.

The correlation coefficient r being -0.9963, 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.

Endpoint:
vapour pressure
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
α-Pinene is a bicyclic monounsaturated monoterpene and (-)-α-pinene is an enantiomeric form of α-pinene. Therefore, data on (-)-alpha pinene can be extrapolated to alpha-pinene. (see read-across justification document in section 13).
Reason / purpose for cross-reference:
read-across source
Test no.:
#1
Temp.:
293.15 K
Vapour pressure:
ca. 567 Pa
Remarks on result:
other: First trial
Test no.:
#1
Temp.:
298.15 K
Vapour pressure:
ca. 679 Pa
Remarks on result:
other: First trial
Test no.:
#2
Temp.:
293.15 K
Vapour pressure:
ca. 558 Pa
Remarks on result:
other: Second trial
Test no.:
#2
Temp.:
298.15 K
Vapour pressure:
ca. 624 Pa
Remarks on result:
other: Second trial
Temp.:
293.15 K
Vapour pressure:
ca. 563 Pa
Remarks on result:
other: Mean
Temp.:
298.15 K
Vapour pressure:
ca. 652 Pa
Remarks on result:
other: Mean

First trial:

 

Vapour Pressure (Pa)

Time (hh:mn)

Corresponding Temperature (°C)

Temperature (K)

1/T (K-1)

Log10(p)

650

14:35 (21/09/16)

23.6

296,75

3,370E-03

2,813

705

10:30

25.9

299,05

3,344E-03

2,848

740

15:00

28.0

301,15

3,321E-03

2,869

810

16:40

30.3

303,45

3,295E-03

2,908

890

18:00

32,5

305,65

3,272E-03

2,949

 

A plot of Log10(p) versus temperature (1/T) (with p in Pa and T in K) gives the following statistical data using an unweighted least square treatment.

 

Slope              -1361.7

 

Intercept          7.3988

 

                   0.9894

 

The results obtained indicate the following vapour pressure relationship:

 

Log10(p (Pa)) = -1361.7 / T (K) + 7.3988

 

The above equation yields a vapour pressure of 567 Pa at 293.15 K and 679 Pa at 298.15 K.

Second trial:

 

Vapour Pressure (Pa)

Time (hh:mn)

Corresponding Temperature (°C)

Temperature (K)

1/T (K-1)

Log10(p)

610

10:40

23,6

296.75

3,370E-03

2,785

633

12:00

25,8

298.95

3,345E-03

2,801

662

14:00

28

301.15

3,321E-03

2,821

699

15:20

30.3

303.45

3,295E-03

2,844

742

16:40

32,6

305.75

3,271E-03

2,870

 

A plot of Log10(p ) versus reciprocal temperature (1/T) (with p in Pa and T in K) gives the following statistical data using an unweighted least square treatment.

 

Slope              -859.99

 

Intercept          5.6799

 

                   0.9916

 

The results obtained indicate the following vapour pressure relationship:

 

Log10(p (Pa)) = -859.99 / T(K) + 5.6799

 

The above equation yields a vapour pressure of 558 Pa at 293.15 K and 624 Pa at 298.15 K.

Conclusions:
Using the static method according to guideline OECD 104 and method EU A.4, vapour pressure of 563 Pa at 20°C and 652 Pa at 25°C were estimated for the test item.
Executive summary:

Vapour pressure of (-)-alpha-pinene was measured using the static method according to guideline OECD 104 and method EU A.4.

The Log10(Vapour Pressure (Pa)) was plotted against 1/T (K) and a linear function was obtained. With this equation, the vapour pressure has been calculated for temperatures at 20°C and 25°C.

The vapour pressure of the test item was calculated as 563 Pa at 20°C and 652 Pa at 25°C.

Based on the correlation coefficient R² over 0.95 and on the difference between the two determinations at each temperature (< 20%), the study is considered as valid.

Description of key information

Vapour pressure of alpha-pinene multiconstituent was calculated using the static method (from the regression of 22 individual measurements): 
690 Pa at 20°C
851 Pa at 25°C

Key value for chemical safety assessment

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

Additional information

A study was conducted according to OECD 104 and EU A.4 guidelines to measure vapour pressure of alpha-pinene multiconstituent. As the results were obtained under GLP without deviation, they were considered as valid and reliable without restriction and used to propose a key value.

This result is supported by consistent experimental data obtained with (-)-alpha-pinene.