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Vapour pressure

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Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
experimental dates: 08-24 January 2013
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. The substance is adequately characterised. Therefore full validation applies.
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
23 March 2006
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Version / remarks:
Regulation (EC) No 440/2008
Deviations:
no
Principles of method if other than guideline:
Not applicable
GLP compliance:
yes (incl. QA statement)
Remarks:
UK GLP compliance programme (inspected on 10 July 2012 / signed on 30 November 2012)
Type of method:
gas saturation method
Key result
Temp.:
25 °C
Vapour pressure:
0.14 Pa

Average of vapour pressure (mean of three determinations (three flow rates)):

0.242 Pa at 30°C

0.732 Pa at 40°C

1.91 Pa at 50°C

Detailed data, the vapour pressure curve and the regression parameters are provided in the experimental report.

                                     

Validation

The linearity of the detector response with respect to concentration was assessed over the concentration range of 5.10 to 20.4 mg/L. This was satisfactory with a correlation coefficient of 1.000 being obtained.

Discussion

To ensure saturation control, three different flow rates were used at each temperature. From the data, it can be clearly seen that higher flow rates did not lead to lower vapor pressures, which means that the nitrogen was saturated with test item under the conditions of the test.

Conclusions:
Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), << 500 Pa).
Executive summary:

The vapour pressure of the test substance was measured under GLP according to OECD 104 / EU A4 guideline, gas saturation method. Determinations were conducted at 30, 40 and 50 °C, with three flow rates per temperature. Mass of evaporated test item was quantified by GC. Vapor pressure at 25 °C was calculated by extrapolation of ln vapor pressure versus the reciprocal of test temperature (K).

The vapor pressure of the test item has been determined to be 0.140 Pa at 25 °C.

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
No data
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
The study was conducted according to an internationally recognised method. The test substance is adequately characterised. Validation applies with restrictions due to distant extrapolation, leading to inaccuracy.
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
23rd March 2006
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Version / remarks:
Regulation (EC) No 440/2008
Deviations:
no
Principles of method if other than guideline:
Not applicable
GLP compliance:
no
Type of method:
dynamic method
Temp.:
25 °C
Vapour pressure:
0.11 Pa
Remarks on result:
other:
Remarks:
extrapolated value
 Temperature (°C)  Pressure (hPa)
 170.3  28.0
 177.4  36.6
 183.1  46.0
 185.2  52.8
 190.2  67.7
 194.5  75.4
 197.0  87.9

An extrapolation was made using an non-linear regression with the measuring points according to the permutation matrix of Fremann-Carrol and by Antoine equation to obtain the vapor pressure at 25 °C.

After the regression the following parameters were:

 

P(T) = 10{ A - [B/(t+C)] }(mmHg); P(T) = (1013/760)*10{ A - [B/(t+C)] }(hPa)

 

A = 9.0410; B = 3090.729; C = 230.000; T =Temperature, °C

The boiling temperature could not be measured, because decomposition was observed by DTA from 230°C. The extrapolated bp value is 271.7°C.

Conclusions:
(extrapolated) Low volatility.
Executive summary:

The vapour pressure of the test substance was measured according to OECD 104/EU A4 guideline, dynamic method.

The result at 25 °C was extrapolated from the regression based on a series of 7 measurements between 28 and 88 hPa, corresponding to 170 to 197°C.

The vapour pressure was extrapolated to be 0.0011 hPa (0.11 Pa) at 25 °C.

Description of key information

Low volatility.

Key value for chemical safety assessment

Vapour pressure:
0.14 Pa
at the temperature of:
25 °C

Additional information

Two reliable experimental studies, conducted according to a recognized OECD/EC method, are available:

- the Harlan study was conducted under GLP, with the gas saturation method, allowing a temperature range very close to ambient (30-50°C);

- the Firmenich study was performed non-GLP, with the dynamic method in a working range of 170 to 197°C.

Despite distant extrapolation in the Firmenich study, both results are 25°C were found very consistent, with 0.14 and 0.11 Pa for Harlan and Firmenich studies, respectively.

However, the gas saturation study was prefered, and considered as key. Its result is retained as key data