Reaction mass of (1RS)-1-[(1RS)-3,3-dimethylcyclohexyl]ethyl [(2RS,3RS)-3-ethyloxiran-2-yl]acetate and (1RS)-1-[(1RS)-3,3-dimethylcyclohexyl]ethyl [(2SR,3SR)-3-ethyloxiran-2-yl]acetate and (1RS)-1-[(1SR)-3,3-dimethylcyclohexyl]ethyl [(2RS,3RS)-3-ethyloxiran-2-yl]acetate and (1RS)-1-[(1SR)-3,3-dimethylcyclohexyl]ethyl [(2SR,3SR)-3-ethyloxiran-2-yl]acetate

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

19-08-2014 to 19-11-2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline study performed under GLP. All relevant validity criteria were met.

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: OECD Test Guideline 113 (1981) Screening Test for Thermal Stability and Stability in Air

Deviations:

not specified

Qualifier:

equivalent or similar to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: January 2013; signature: March 2013

Type of method:

effusion method: vapour pressure balance

Remarks:

Further testing was done incorporating: 1. Thermal Stability (DSC) and 3. Dynamic Method

Temp.:

20 °C

Vapour pressure:

0.013 Pa

Temp.:

25 °C

Vapour pressure:

0.029 Pa

Temp.:

50 °C

Vapour pressure:

0.86 Pa

Thermal Stability

The DSC run in a closed glass crucible under an inert atmosphere was determined. In the temperature range of 260 – 300 °C an exothermic effect can be observed, with a decomposition energy of greater than -30 J/g. The test was terminated at the maximum measured temperature of 300 °C.

 

Effusion method: Vapour Pressure Balance

The vapour pressure was measured in the temperature range of 28 to 53 °C. The measured vapour pressure values together with the measured temperatures are listed.

Table 1.0 : Results of the Effusion method

No.	Temperature / °C	Vapour Pressure / Pa
1	28	0.046
2	33	0.123
3	38	0.209
4	42	0.338
5	48	0.563
6	53	1.074
7	53	0.706
8	42	0.337

At a temperature of 53 °C a variation of the evaporation rate was observed during the measurement. For control a second measurement was performed at this temperature, resulting in a decline of the vapour pressure. This may be attributed to the loss of a volatile components. The orifice was opened for three hours to remove the last traces of the volatile component. Since no significant change was observed after three hours, the test was aborted, and the test item was cooled down and kept under vacuum overnight. The orifice was opened during this time. On the next day a control measurement was performed at temperature of 42 °C, leading to an identical vapour pressure as within the definitive test. Due to these observations the vapour pressure was additionally measured using the dynamic method.

 

Dynamic Method: Vapour-Liquid Equilibrium (VLE)

The vapour pressure was measured in the temperature range of 139.1 to 215.8 °C.

Table 2.0 : Results of the Dynamic Method

No.	Temperature / °C	Vapour Pressure / Pa #1	Remark
1	139.1	1100	Measured up
2	160.1	2000	Measured up
3	186.6	4000	Measured up
4	199.3	6000	Measured up
5	208.5	8000	Measured up
6	215.8	10000	Measured up
7	198.3	7000	Measured down
8	187.1	5000	Measured down
9	167.3	3000	Measured down
10	139.5	1500	Measured down

#1: VP is reported as Pa, converted from the reported hPa units within the full study report.

During the determination, the test item gradually changed its colour form colourless to light green, starting at a temperature of about 200 °C. This effect was also accompanied by a change in the vapour pressure, which is shown by the data points measured with decreasing pressure (measured down).

 

For comparison the measured vapour pressures of both methods are combined the vapour pressure was evaluated with all measured data points and the Antoine constants were determined. From the measured data points on the vapour pressure curve the measured constants of the Antoine equation were determined as: A = 8.2895; B = -1393.12 and C = 116.71. The vapour pressure of the test item was calculated by interpolation and extrapolation of the measured vapour pressure curve from the vapour pressure balance and the dynamic method measurements, for the temperatures 20, 25 and 50 °C.

Conclusions:

The vapour pressure of the test item was determined to be at 20°C: 0.013 Pa and at 25°C: 0.029 Pa respectively, calculated by interpolation and extrapolation within the measured vapour pressure curve from the vapour pressure balance and the dynamic method measurements

Executive summary:

The vapour pressure was determined by combining the results of the the Effusion Method: vapour pressure balance and dynamic methods as listed within in EU Method A.4 and OECD TG 104 conducted under GLP. For comparison the measured vapour pressures of both methods are combined the vapour pressure was evaluated with all measured data points and the Antoine constants were determined. From the measured data points on the vapour pressure curve the measured constants of the Antoine equation were determined as: A = 8.2895; B = -1393.12 and C = 116.71. The vapour pressure of the test item was calculated by interpolation and extrapolation of the measured vapour pressure curve from the vapour pressure balance and the dynamic method measurements, for the temperatures 20, 25 and 50 °C. The vapour pressure of the test item was determined to be at 20°C: 0.013 Pa, 25°C: 0.029 Pa, and 50°C: 0.86 Pa, respectively.

Description of key information

Vapour Pressure: 0.029 Pa at 25 °C, EU Method A.4 – vapour pressure balance and dynamic methods, 2014

Key value for chemical safety assessment

Vapour pressure:

0.029 Pa

at the temperature of:

25 °C

Additional information

The vapour pressure was determined by combining the results of the the Effusion Method: vapour pressure balance and dynamic methods as listed within in EU Method A.4 and OECD TG 104 conducted under GLP. For comparison the measured vapour pressures of both methods are combined the vapour pressure was evaluated with all measured data points and the Antoine constants were determined. From the measured data points on the vapour pressure curve the measured constants of the Antoine equation were determined as: A = 8.2895; B = -1393.12 and C = 116.71. The vapour pressure of the test item was calculated by interpolation and extrapolation of the measured vapour pressure curve from the vapour pressure balance and the dynamic method measurements, for the temperatures 20, 25 and 50 °C. The vapour pressure of the test item was determined to be at 20°C: 0.013 Pa, 25°C: 0.029 Pa, and 50°C: 0.86 Pa, respectively.