3-methyl-5-phenylpent-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:

2015-10-02 to 2015-10-07

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

no

Remarks:

The study was conducted under GLP equivalent conditions. The study was conducted under supervision of a quality assurance unit which had ensured e.g. instrumentation validation, reagent/materials certification, analyst certification and providing SOPs.

Type of method:

dynamic method

Remarks:

vapour–liquid equilibrium (VLE)

Key result

Temp.:

20 °C

Vapour pressure:

0.21 hPa

Key result

Temp.:

25 °C

Vapour pressure:

0.27 hPa

Key result

Temp.:

50 °C

Vapour pressure:

0.87 hPa

Thermal Stability

The test item in a closed glass crucible showed no thermal effects in the temperature range of 25 – 300 °C.

 

Dynamic method: Vapour-liquid equilibrium (VLE) 

The vapour pressure was measured in the temperature range of 128.0 to 186.5 °C. The measured vapour pressure values together with the measured temperatures are listed below

 

No.	Temperature / °C	Vapour pressure / hPa	Remark
1	128.0	13.7	measured up
2	143.1	19.9	measured up
3	161.8	29.8	measured up
4	173.0	39.6	measured up
5	180.8	49.5	measured up
6	186.5	58.2	measured up
7	184.0	54.2	measured down
8	177.1	44.7	measured down
9	167.9	34.2	measured down

 

From the measured data points of the vapour pressure curve the constants A, B and C of the Antoine equation was derived by regression of the data points to

A = 8.0051

B = -1960.01

C = 273.15

The vapour pressure of the test item was calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C.

Conclusions:

The vapour pressure of the test item was determined to be 0.21 hPa at 20 °C, 0.27 hPa at 25 °C and 0.87 hPa at 50 °C respectively.

Executive summary:

A study was conducted according to OECD TG 104, Regulation (EC) No 440/2008 method A.4 and OPPTS 830.7950 to determine the vapour pressure of the test item. A vapour pressure curve with 9 data points was measured over a pressure range between 14 to 58 hPa. For control 3 measuring points were evaluated with decreasing pressure. From the measured data points of the vapour pressure curve the constants A, B and C of the Antoine equation was derived and the vapour pressure of the test item as calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C, according to Regulation EC No. 440/2008 Method A.4. The vapour pressure was determined to be 0.21 hPa at 20 °C, 0.27 hPa at 25 °C and 0.87 hPa at 50 respectively.

Description of key information

The vapour pressure of the test item was determined to be 0.21 hPa at 20 °C, 0.27 hPa at 25 °C and 0.87 hPa at 50 °C respectively.

Key value for chemical safety assessment

Vapour pressure:

0.27 hPa

at the temperature of:

25 °C

Additional information

A study was conducted according to OECD TG 104 determine the vapour pressure of the test item using the dynamic method (VLE). A vapour pressure curve with 9 data points was measured over a pressure range between 14 to 58 hPa. The vapour pressure of the test item was calculated by extrapolation of the measured vapour pressure curve for the temperatures 20, 25 and 50 °C. The vapour pressure was determined to be 0.21 hPa at 20 °C, 0.27 hPa at 25 °C and 0.87 hPa at 50 respectively.