4-(1,1-dimethylethyl)cyclohexyl acrylate

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2009-10-9 to 2009-11-19

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:

2006

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

BASF SE, GKA Kompetenzzentrum Analytik, 67056 Ludwigshafen, Germany.

Type of method:

static method

Specific details on test material used for the study:

Purity:94.1 g/100 g by 1H-NMR spectroscopy with internal standard, determined during the GLP-study No. 09L00333 from GKA Competence Center Analytics, BASF SE

Key result

Temp.:

20 °C

Vapour pressure:

6 hPa

Key result

Temp.:

25 °C

Vapour pressure:

7.5 hPa

Key result

Temp.:

50 °C

Vapour pressure:

20.4 hPa

The regression of the results leads with a mean deviation of 3.2 % to the following equation:

ln(p/hPa) = 14.6035 - 3662.69 / (266.02 + t/°C)

The vapour pressures at 20°C, 25°C and 50°C were calculated from the regression equation.

Temperature, t/°C	Vapour pressure, p/hPa
20	6.0
25	7.5
50	20.4

The test item is liquid in the temperature range used for the

vapour pressure measurements.

Conclusions:

The vapour pressure was calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C to be 6 hPa, 7.5 hPa and 20.4 hPa respectively.

Description of key information

The vapour pressure of the substance is 6 hPa at 20 °C.

Key value for chemical safety assessment

Vapour pressure:

6 hPa

at the temperature of:

20 °C

Additional information

A GLP study was conducted (BASF, 09L00334, 2009) according to OECD Test Guideline 104 (2006), Regulation (EC) No 440/2008 method A.4. to determine the vapour pressure of the test item. Therefore the vapour pressure was measured in the temperature range of 19.6 °C to 119.4 °C. From the measured data points of the vapour pressure curve the constants A, B and C of the Antoine equation were derived by regression of the data points. The vapour pressure was calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C to be 6 hPa, 7.5 hPa and 20.4 hPa respectively. No observations were made which might cause doubts concerning the validity of the study outcome.

A non-GLP supporting study (BASF, 2004.036.03, 2004) was available. The vapour pressure was determined according to OECD Test Guideline 104 (2006), Regulation (EC) No 440/2008 method A.4. Therefore the vapour pressure was measured in the temperature range of 63.51 °C to 116.95 °C. From the measured data points of the vapour pressure curve the constants A, B and C of the Antoine equation were derived by regression of the data points. The vapour pressure was calculated by extrapolation of the measured vapour pressure curve for the temperatures 20 and 50 °C to be 0.019 hPa and 0.22 hPa respectively.

Furthermore a non-GLP supporting study was available (BASF, PH261,1980). Only limited documentation of the study was available. The vapour pressure was measured from 70 °C to 210 °C. At 70 °C the vapour pressure was determined to be 1.1 hPa and at 210 °C the substance polymerises.

In the GLP study (BASF, 09L00334, 2009) the calculated vapour pressure was within the measured temperature range. Whereas in the non-GLP study (BASF, 2004.036.03, 2004) the calculated vapour pressures were outside the measured temperature range. This is most likely the reason why the results of the both studies differ. In conclusion a vapour pressure of 6 hPa was chosen as key value for chemical safety assessment as this value was determined in the most reliable study with the highest purity of the test item.