[No public or meaningful name is available]

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

February 23-24, 2016 (experimental phase)

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2016

Report date:

2016

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Version / remarks:

European Commission Regulations (EC) No. 440/2008 and No. 761/2009, A.4. Vapour pressure: Effusion method

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Hess. Ministerium für Umwelt, Energie, Landwirtschaft und Verbraucherschutz, Mainzer Straße 80, D65189 Wiesbaden, Germany

Type of method:

effusion method: by loss of weight or by trapping vaporisate

Test material

Test material information

Constituent 1

Reference substance name:

Fatty acids, C16-18 (even numbered), reaction products with tetraethylenepentamine

Molecular formula:

not applicable (UVCB substance)

IUPAC Name:

Fatty acids, C16-18 (even numbered), reaction products with tetraethylenepentamine

Test material form:

solid: pellets

Details on test material:

- Substance type: pure substance
- Storage condition of test material: Ambient temperature (10 – 30 °C), protected from light

Results and discussion

Vapour pressure

Vapour pressure 1

Temp.:

50 °C

Vapour pressure:

0 hPa

Remarks on result:

other: measured

Vapour pressure 2

Temp.:

65 °C

Vapour pressure:

0 hPa

Remarks on result:

other: measured

Vapour pressure 3

Temp.:

80 °C

Vapour pressure:

0 hPa

Remarks on result:

other: measured

Vapour pressure 4

Temp.:

90 °C

Vapour pressure:

0 hPa

Remarks on result:

other: measured

Vapour pressure 5

Temp.:

100 °C

Vapour pressure:

0 hPa

Remarks on result:

other: measured

Vapour pressure 6

Temp.:

110

Vapour pressure:

0 hPa

Remarks on result:

other: measured

Vapour pressure 7

Temp.:

120 °C

Vapour pressure:

0 hPa

Remarks on result:

other: measured

Vapour pressure 8

Temp.:

20 °C

Vapour pressure:

0 hPa

Remarks on result:

other: Extrapolated. In the temperature range up to 80 °C intermediate vapour pressures up to approx. 3 × 10-5 hPa were detected which may be attributed to minor impurities.

Vapour pressure 9

Temp.:

25 °C

Vapour pressure:

0 hPa

Remarks on result:

other: Extrapolated. In the temperature range up to 80 °C intermediate vapour pressures up to approx. 3 × 10-5 hPa were detected which may be attributed to minor impurities.

Vapour pressure 10

Temp.:

50 °C

Vapour pressure:

0 hPa

Remarks on result:

other: Extrapolated. In the temperature range up to 80 °C intermediate vapour pressures up to approx. 3 × 10-5 hPa were detected which may be attributed to minor impurities.

Any other information on results incl. tables

Individual results

 

Vapour pressure balance

The vapour pressure was measured in the temperature range of 50 °C to 120 °C. For the calculation of the vapour pressure a molar mass of 648.1 g/mol was used based on the information provided by the study monitor. The measured vapour pressures at the corresponding temperatures are listed in Table 1.

 

Table1: Measured vapour pressures and corresponding temperatures

Temperature / °C	Vapour pressure / hPa
50	2.8×10^-5
65	3.2×10^-5
80	3.0×10^-5
90	1.1×10^-5
100	2.2×10^-5
110	4.6×10^-5
120	1.0×10^-4

 

The data points measured at 50 °C, 65 °C and 90 °C showed a non-linear dependency between the vapour pressure (logarithmic scale) and the inverse temperature (1/T, T in Kelvin). This is a typical effect which can be attributed to minor impurities of higher vapour pressure than the main constituents.

The data points measured at 90 °C, 100 °C, 110 °C and 120 °C show a good linearity. After the measurement the test item was a solidified yellowish melt and the mass loss was found to be 3.3 %. Therefore, the data points measured at 90 °C and above are representative for the vapour pressure of the melted main constituents. Although the test item is a solid at room temperature it can be assumed that an extrapolation to room temperature is a valid approach to obtain conservative vapour pressure values for the main constituents.

Based on the data points measured at 90 °C and above a vapour pressure representative for the main constituents was calculated for 20 °C, 25 °C and 50 °C, using the Antoine constants A, B and C as shown in Table 2. Only for better readability the temperature is also reported in a centigrade scale.

 

Table2: Antoine parameters and extrapolated vapour pressures

T / °C	p / hPa	log (p/hPa) = A + B/(C+T[°C])
20	8.2×10^-9*	A =	7.92627
25	1.5×10^-8*	B =	-4694.62
50	2.5×10^-7*	C =	273.15

*In the temperature range up to 80 °C intermediate vapour pressures up to approx. 3×10^-5 hPa were detected which may be attributed to minor impurities.

 

Final results

The following vapour pressure values were extrapolated from the experimental data:

 

T / °C	p / hPa	p / Pa
20	8.2×10^-9*	8.2×10^-7*
25	1.5×10^-8*	1.5×10^-6*
50	2.5×10^-7*	2.5×10^-5*

*In the temperature range up to 50 °C intermediate vapour pressures up to approx. 3×10^-5 hPa were detected which may be attributed to minor impurities.

Applicant's summary and conclusion

Conclusions:

The vapor pressure was determined in a GLP guideline study according to OECD 104, and EU method A.4 without deviations on the registered substance itself. Hence, there is no indication given that the results are not reliable.
Vapour pressure values were extrapolated from the experimental data to 8.2 × 10-7 Pa at 20°C, 1.5 × 10-6 Pa at 25°C, and 2.5 × 10-5 Pa at 50°C.

Executive summary:

The vapor pressure of Octadecanoic acid, reaction products with tetraethylenepentamine was determined in a GLP guideline study according to OECD 104 and EU method A.4. Vapour pressure values were extrapolated from the experimental data to 8.2×10^-7 Pa at 20°C, 1.5×10^-6 Pa at 25°C, and 2.5×10^-5 Pa at 50°C.