3-(4,4-dimethylcyclohex-1-en-1-yl)propanal

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

04-02-2010 to 15-03-2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

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

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: November 2007 ; signature: November 2008

Type of method:

gas saturation method

Temp.:

25 °C

Vapour pressure:

10.8 Pa

Calculation of the Vapour Pressure

The vapour pressure at a given temperature can be calculated by determining the amount of test item transported by a known amount of carrier gas. Volume correction was completed by appropriate calculation methods described in the study report. The Vapour pressure was subsequently calculated from:

Pvp = W x R x T / V x M

Pvp = vapour pressure [Pa] (calculated)

W = mass of evaporated test item [micro-grams] (from analysis)

R = gas constant = 8.314 J/K mol

T = temperature [K] (measured)

V = volume of nitrogen at test temperature [mL] (determined from flow rate)

M = molar mass of test item

 

From experimental data performed at the three test temperatures, the vapour pressure of the test item at 25 °C was calculated by interpolation of ln vapour pressure versus the reciprocal of test temperature (K).

 

The mass of transferred test item and corresponding vapour pressures are shown in the following table:

Column	Temperature [°C]	Volume #1 V2 [mL]	Amount of test item in trap 1 [µg]	Amount of test item in trap 2 [µg]	Total amount of test item [µg]	Vapour Pressure [Pa]	Average Vapour Pressure [Pa]
1	15.25	2975	821.528	< 6.950	< 828.478	4.0
2		3756	916.776	11.451	928.227	3.6
3		4474	1428.025	11.788	1439.813	4.6	4.1
1	25.10	62735	59325.249	12.752	59338.000	14.0
2		75956	64624.957	22.708	64647.666	13.0
3		93482	72922.748	21.806	72944.555	12.0	13.0
1	35.00	3834	5618.064	15.662	5633.726	23.0
2		4894	7510.793	13.551	7524.344	24.0
3		5722	9094.141	15.695	9109.836	25.0	24.0

#1 : corrected volume at test temperature as calculated under “Volume correction”

1,2 and 3 refers to three different flow rates respectively, reported in the full study report.

 

The vapour pressure at 25 °C was interpolated from the vapour pressure curve (ln Pvp versus 1/T) and was calculated to 10.8 Pa.

The linearity of the detector response with respect to concentration was assessed over the concentration range of 1.738 to 104.3 mg/L (n=7). This was satisfactory with a correlation coefficient of ≥ 0.99 being obtained (actual : 0.9988).

The trapping efficiency of the test item in the first cooling trap was very good. Between 99% and 100% of the test item was trapped in the first cooling trap.

Conclusions:

The vapour pressure of the test item has been determined to be 10.8 Pa at 25 °C.

Executive summary:

The vapour pressure was determined using EU Method A.4 and OECD TG 104 using the gas saturation method under GLP. To ensure saturation control, three different flow rates were used at each temperature. In the determination higher flow rates did not lead to lower vapour pressures, which means that the nitrogen was saturated with test item under the conditions of the test. The mean vapour pressure was 15°C: 4.1 Pa;  25°C: 13.0 Pa and 35°C: 24.0 Pa respectively. The linearity of the detector response with respect to concentration was assessed over the concentration range of 1.738 to 104.3 mg/L (n=7). This was satisfactory with a correlation coefficient of ≥ 0.99 being obtained. The trapping efficiency of the test item in the first cooling trap was very good. Between 99% and 100% of the test item was trapped in the first cooling trap. The vapour pressure of the test item was interpolated from the vapour pressure curve (ln Pvp versus 1/T) and was calculated to be 10.8 at 25°C.

Description of key information

Vapour Pressure: 10.8 Pa at 25 °C, EU Method A.4 - Gas Saturation Method, 2010

Key value for chemical safety assessment

Vapour pressure:

10.8 Pa

at the temperature of:

25 °C

Additional information

Key study : EU Method A.4, 2010 : The vapour pressure was determined using EU Method A.4 and OECD TG 104 using the gas saturation method under GLP. To ensure saturation control, three different flow rates were used at each temperature. In the determination higher flow rates did not lead to lower vapour pressures, which means that the nitrogen was saturated with test item under the conditions of the test. The mean vapour pressure was 15°C: 4.1 Pa;  25°C: 13.0 Pa and 35°C: 24.0 Pa respectively. The linearity of the detector response with respect to concentration was assessed over the concentration range of 1.738 to 104.3 mg/L (n=7). This was satisfactory with a correlation coefficient of ≥ 0.99 being obtained. The trapping efficiency of the test item in the first cooling trap was very good. Between 99% and 100% of the test item was trapped in the first cooling trap. The vapour pressure of the test item was interpolated from the vapour pressure curve (ln Pvp versus 1/T) and was calculated to be 10.8 at 25°C.