Benzonitrile, 4-formyl-3-methoxy-

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-02-22 to 2018-025-16

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: by loss of weight or by trapping vaporisate

Test material

Test material information

Constituent 1

Reference substance name:

4-formyl-3-methoxybenzonitrile

EC Number:

804-777-4

Cas Number:

21962-45-8

Molecular formula:

C9 H7 NO2

IUPAC Name:

4-formyl-3-methoxybenzonitrile

Test material form:

solid

Specific details on test material used for the study:

Test item: Methoxynitrilaldehyd
Batch No.: BXR8012
CAS No.: 21962-45-8
Sponsor project No: PO: 2950014983
IBACON study No.: 127181183
Molecular mass: 161.16 g/mol
Content: 100.5 %
Physical state: White solid
Storage conditions: Ambient temperature (10 °C to 30 °C)
Certificate: Examination report dated January 09, 2018, Bayer AG, Wuppertal, Germany
Expiry date: October 24, 2019

Results and discussion

Vapour pressure

Vapour pressure 1

Test no.:

#1

Temp.:

40 °C

Vapour pressure:

0 hPa

Vapour pressure 2

Test no.:

#2

Temp.:

50 °C

Vapour pressure:

0.001 hPa

Vapour pressure 3

Test no.:

#3

Temp.:

60 °C

Vapour pressure:

0.004 hPa

Vapour pressure 4

Test no.:

#4

Temp.:

70 °C

Vapour pressure:

0.011 hPa

Vapour pressure 5

Test no.:

#5

Temp.:

80 °C

Vapour pressure:

0.023 hPa

Remarks on result:

other: Not included into the result evaluation, possible near-complete evaporation

Vapour pressure 6

Test no.:

#6

Temp.:

90 °C

Remarks on result:

not determinable

Remarks:

The test item was fully evaporated at 90 °C

Vapour pressure 7

Key result

Temp.:

20 °C

Vapour pressure:

0.003 Pa

Remarks on result:

other: extrapolated from the experimental data

Vapour pressure 8

Temp.:

25 °C

Vapour pressure:

0.005 Pa

Remarks on result:

other: extrapolated from the experimental data

Vapour pressure at 50°C (if relevant for classification of gas under pressure)

Vapour pressure:

0.13 Pa

Remarks on result:

other: extrapolated from the experimental data

Any other information on results incl. tables

The vapour pressure was measured in the temperature range of 40 °C to 90 °C. The measurement at 90 °C failed because the test item had fully evaporated. The measurement at 80 °C was not included into the evaluation because it showed a deviation and was possibly also affected by the near-complete evaporation of the test item. After the measurement a mass loss of approx. 100 % (w/w) was determined.

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

A =13.52565

B =-5304.07

C =273.15

log (p/hPa) = A + B/(C+T[°C])

Applicant's summary and conclusion

Conclusions:

The following vapour pressure values for Methoxynitrilaldehyd were extrapolated from the experimental data (vapour pressure balance):
20°C: 0.0027 Pa
25°C: 0.0054 Pa
50°C: 0.13 Pa

Executive summary:

Methoxynitrilaldehyd, Batch No.: BXR8012, VAPOUR PRESSURE A.4. (OECD 104)

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

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

OECD test guideline, OECD 104 Vapour pressure

The test item was tested as received. No further preliminary treatment such as drying or milling was performed. The results given in this report only apply to the tested sample.

Results: The following vapour pressure values for Methoxynitrilaldehyd were extrapolated from the experimental data (vapour pressure balance): 20°C: 0.0027 Pa, 25°C: 0.0054 Pa , 50°C: 0.13 Pa

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