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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
The study was conducted in accordance with relevant test method but not in compliance with GLP.
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
not specified
GLP compliance:
no
Type of method:
dynamic method
Key result
Temp.:
20 °C
Vapour pressure:
4 Pa
Key result
Temp.:
25 °C
Vapour pressure:
6.7 Pa
Key result
Temp.:
50 °C
Vapour pressure:
58 Pa

Table 1: Experimental vapor pressure data for GTL Solvent GS 215

T / K

Pexp/ kPa

Pcalc/ kPa

1-Pexp/Pcalc

344.85

0.264

0.262

-0.56%

348.52

0.330

0.329

-0.39%

353.51

0.447

0.443

-0.81%

358.16

0.584

0.579

-0.86%

365.31

0.849

0.856

0.85%

368.59

1.01

1.02

0.69%

373.45

1.29

1.30

0.79%

378.06

1.63

1.63

0.06%

383.35

2.10

2.10

-0.25%

388.85

2.70

2.70

-0.11%

395.92

3.69

3.66

-0.60%

402.15

4.75

4.75

-0.11%

408.60

6.13

6.13

-0.01%

416.46

8.27

8.26

-0.13%

423.20

10.55

10.53

-0.17%

429.71

13.17

13.19

0.17%

443.70

20.75

20.77

0.08%

451.94

26.63

26.66

0.13%

463.16

36.75

36.78

0.10%

470.57

44.93

45.00

0.15%

482.41

61.01

61.06

0.07%

491.26

76.08

75.75

-0.43%

500.26

94.70

93.38

-1.42%

 

Antoine parameters fitted to the experimental data are shown in Table 2

 

Table 2: Antoine parameters of the pure components:

 

DDB format: log (P/Torr) = A – B / (C + T/°C)

component

A

B

C

GTL Solvent GS 215

6.68787

1496.42

162.330

 

Aspen format: ln (P/Torr) = A + B / (C + T/°C)

component

A

B

C

GTL Solvent GS 215

15.3994

-3445.63

162.330

 

From the equations above, the author of the EPSR estimated the following vapour pressure values for the substance.

DDB Method

Temp (°C)

log p (torr)

VP (torr)

VP (Pa)

20

-1.51934

0.030246

4.0E+00

25

-1.30028

0.050087

6.7E+00

30

-1.09261

0.080796

1.1E+01

40

-0.70807

0.195854

2.6E+01

50

-0.35974

0.436773

5.8E+01

 

Aspen Method 

Temp (°C)

ln p (torr)

VP (torr)

VP (Pa)

20

-3.49837

0.030247

4.0E+00

25

-2.99397

0.050088

6.7E+00

30

-2.5158

0.080798

1.1E+01

40

-1.63035

0.19586

2.6E+01

50

-0.82831

0.436786

5.8E+01

Conclusions:
Vapour pressure values of 4 Pa, 6.7 Pa and 58 Pa at 20°C, 25°C and 50°C respectively were determined for the substance using a relevant test method. The result is considered reliable.
Executive summary:

Vapour pressure values of 4 Pa, 6.7 Pa and 58 Pa at 20°C, 25°C and 50°C respectively were determined for the substance using a relevant test method. The result is considered reliable.

Description of key information

vapour pressure (whole substance): 4 Pa, 6.7 Pa and 58 Pa at 20°C, 25°C and 50°C respectively (measured)

vapour pressure (individual constituents): 3.4E-02 to 330 Pa at 25°C (QSAR)

Key value for chemical safety assessment

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

Additional information

Vapour pressure values of 4 Pa, 6.7 Pa and 58 Pa at 20°C, 25°C and 50°C respectively were determined for the substance using dynamic method in accordance with OECD 104 test method. The measurements were made at several temperatures (71.7°C to approximately 227°C), therefore linear regression analysis was used to calculate the vapour pressures at 20°C, 25°C and 50°C. The result is considered to be reliable and selected as key study.

Since the submission substance is a UVCB substance, the vapour pressures of the individual constituents are also important. Measured vapour pressure for the whole substance is preferred for the purpose of human health exposure assessment while the vapour pressures of individual constituents are useful for environmental risk characterisation.

This endpoint can be characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with QSAR software (see IUCLID Section 13).

As supporting information, the vapour pressures of the individual constituents were determined using a validated QSAR estimation method. Vapour pressures in the range 3.4E-02 to 330 Pa at 25°C were determined for the constituents of the submission substance.