(2Z)-2-phenylhex-2-enenitrile

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2008

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

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: Novermber 2007; signature: November 2008

Type of method:

gas saturation method

Temp.:

25 °C

Vapour pressure:

0.59 Pa

Remarks on result:

other: Extrapolated from ln P v. 1/T curve

Temp.:

30 °C

Vapour pressure:

0.91 Pa

Temp.:

40 °C

Vapour pressure:

2.6 Pa

Temp.:

50 °C

Vapour pressure:

5.5 Pa

Calculation of the Vapour Pressure

The vapour pressure of the test item has been calculated for each determination using

 

Pvp = WxRxT / VxM

where:

Pvp = vapour pressure [Pa] (calculated)

W = mass of evaporated test item [ug] (determined by 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 oftest item (components reported in the full study report)

Performance of the test

1. Three different flow rates were used at each temperature. 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.

2. Trapping efficiency of the test item in the first cooling trap was very good. Over 99% of the test item was trapped in the first cooling trap.

3. The calibration curve had the following parameters within the range of 0.4126 μg/mL and 127.78 μg/mL : y = a x^b where: b = 1.0048, a = 5.6087 and r2 = 0.9992

 

Table 2.0 – vapour pressure determination of the test item

Column	Temperature [°C]	Volume V2 #1 [mL	Amount in trap 1 [μg]	Amount in trap 2 [μg]	Total amount [μg]	Vapour Pressure [Pa]	Mean vapour pressure [Pa]
1		4638	297.177	0.825	298.002	0.95
2		5910	355.168	0.825	355.994	0.89
3	29.85	7025	433.733	0.825	434.559	0.91	0.91
1		79073	12858.037	16.577	12874.614	2.5
2		100198	17291.240	7.729	17298.970	2.6
3	40.00	119324	20884.825	19.158	20903.983	2.7	2.6
1		3533	1250.588	0.825	1251.413	5.6
2		4507	1560.578	0.825	1561.403	5.4
3	49.80	5329	1890.532	0.825	1891.358	5.6	5.5

#1 : corrected volume at test temperature as calculated under ‘volume correction’

Conclusions:

The vapour pressure of the test item has been determined to be 0.59 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, indicating that the nitrogen was saturated with test item under the conditions of the test. The mean vapour pressure was 30°C: 0.91 Pa ; 40°C: 2.6 Pa and 40°C: 5.5 Pa respectively. The vapour pressure of the test item was extrapolated from the vapour pressure curve (ln Pvp versus 1/T) and was calculated to be 0.59 Pa at 25°C.

Description of key information

Vapour Pressure: 0.59 Pa at 25 °C, EU Method A.4 – gas saturation method, 2009

Key value for chemical safety assessment

Vapour pressure:

0.59 Pa

at the temperature of:

25 °C

Additional information

Key Study : EU Method A.4, 2009 : 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, indicating that the nitrogen was saturated with test item under the conditions of the test. The mean vapour pressure was 30°C: 0.91 Pa ; 40°C: 2.6 Pa and 40°C: 5.5 Pa respectively. The vapour pressure of the test item was extrapolated from the vapour pressure curve (ln Pvp versus 1/T) and was calculated to be 0.51 Pa at 25°C.