2-Propenal, 2-fluoro-3-(4-morpholinyl)-, (Z)-

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-08-06 to 2018-09-27

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

GLP compliance:

no

Type of method:

effusion method: Knudsen cell

Test material

Test material information

Constituent 1

Reference substance name:

(2Z)-2-fluoro-3-(morpholin-4-yl)prop-2-enal

EC Number:

813-789-9

Cas Number:

152873-67-1

Molecular formula:

C7H10FNO2

IUPAC Name:

(2Z)-2-fluoro-3-(morpholin-4-yl)prop-2-enal

Test material form:

solid

Specific details on test material used for the study:

Test item: (2Z)-2-Fluor-3-(morpholin-4-yl)acrylaldehyd (FMA)
Batch No.: BXR82PT
CAS No.: 152873-67-1
IBACON study No.: 127201183
Molecular mass: 159.16 g/mol
Content: 86.7 %
13.0 % Bis-Morpholine salt
4.7 % N-Formylmorpholine
Physical state: Brown solid
Storage conditions: Ambient temperature (10 °C to 30 °C)
Expiry date: June 11, 2018
Certificate: Inspection certificate dated April 12, 2018, Bayer AG, Wuppertal, Germany

Results and discussion

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

0.001 Pa

Remarks on result:

other: extrapolated from the experimental data

Vapour pressure 2

Key result

Temp.:

25 °C

Vapour pressure:

0.003 Pa

Remarks on result:

other: extrapolated from the experimental data

Vapour pressure 3

Key result

Temp.:

50 °C

Vapour pressure:

0.004 Pa

Remarks on result:

other: extrapolated from the experimental data

Any other information on results incl. tables

Individual results

The vapour pressure was measured in the temperature range of 30 °C to 70 °C. The measured vapour pressures at the corresponding temperatures are listed in Table 1. After the measurement a mass loss of approx. 34 % (w/w) was determined.

Measured vapour pressures and corresponding temperatures

Temperature [°C] / Vapour pressure [hPa]

30 / 5.0 × 10^-05

45 / 2.4 × 10^-04

50 / 4.1 × 10^-04

55 / 7.1 × 10^-04

60 / 1.2 × 10^-03

65 / 2.1 × 10^-03

70 / 3.6 × 10^-03

60 / 1.3 × 10^-03

The values for 20, 25 and 50 °C are calculated, using the Antoine constants A, B and C as shown below

Antoine parameters and extrapolated vapour pressures:

Temperature [°C] / p [hPa] / log (p/hPa) = A + B/(C+T[°C])

20 / 1.3 × 10-5 / A = 11.62841

25 / 2.5 × 10-5 / B = -4841.44

50 / 4.5 × 10-4 / C = 273.15

Applicant's summary and conclusion

Conclusions:

The following vapour pressure (p) values for the test item were extrapolated from the experimental data (vapour pressure: effusion method):
Temperature [°C] / p [hPa] / p [Pa]
20 / 1.3 × 10^-5 / 1.3 × 10^-3
25 / 2.5 × 10^-5 / 2.5 × 10^-3
50 / 4.5 × 10^-4 / 4.5 × 10^-2

Executive summary:

Title

(2Z)-2-Fluor-3-(morpholin-4-yl)acrylaldehyd (FMA) - Batch No.: BXR82PT - VAPOUR PRESSURE A.4. (OECD 104)

The purpose of this study was the determination of the vapour pressure of the test item according to:

European Commission Regulations (EC) No. 440/2008 and No. 761/2009

-A.4. Vapour pressure: effusion method

and OECD test guideline

-OECD 104 (2006) Vapour pressure.

Method: effusion method

The following vapour pressure values for the test item were extrapolated from the experimental data (vapour pressure: effusion method):

Temperature [°C] / p [hPa] / p [Pa]

20 / 1.3 × 10^-5 / 1.3 × 10^-3

25 / 2.5 × 10^-5 / 2.5 × 10^-3

50 / 4.5 × 10^-4 / 4.5 × 10^-2

This study is classified acceptable and satisfies the guideline requirements for vapour pressure studies.