Reaction mass of (3R)-3-[(1R)-4-methyl-3-cyclohexen-1-yl]butanal and (3S)-3-[(1R)-4-methyl-3-cyclohexen-1-yl]butanal

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

01 September - 07 December 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Study was conducted in accordance with international guidelines and in accordance with GLP. All relevant validity criteria were met.

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: isothermal thermogravimetry

Specific details on test material used for the study:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature
- Stability under test conditions: Assumed stable.
- Solubility and stability of the test substance in the solvent/vehicle: N/A
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: N/A

Key result

Test no.:

#1

Temp.:

35 °C

Vapour pressure:

14 Pa

Key result

Test no.:

#2

Temp.:

40 °C

Vapour pressure:

24 Pa

Key result

Test no.:

#3

Temp.:

20 °C

Vapour pressure:

41 Pa

Test no.:

#4

Temp.:

35 °C

Vapour pressure:

9.6 Pa

Remarks on result:

other:

Remarks:

excluded from calculation

Test no.:

#5

Temp.:

40 °C

Vapour pressure:

17 Pa

Remarks on result:

other:

Remarks:

excluded from calculation

Test no.:

#6

Temp.:

45 °C

Vapour pressure:

29 Pa

Remarks on result:

other:

Remarks:

excluded from calculation

Key result

Test no.:

#7

Temp.:

35 °C

Vapour pressure:

14 Pa

Key result

Test no.:

#8

Temp.:

40 °C

Vapour pressure:

24 Pa

Key result

Test no.:

#9

Temp.:

45 °C

Vapour pressure:

41 Pa

Key result

Vapour pressure:

73 Pa

Vapour pressure:

50 Pa

Remarks on result:

other:

Remarks:

excluded from calculation

Key result

Vapour pressure:

68 Pa

The vapour pressure regression curve constructed using the data of Experiment 1 and Experiment 2 had a coefficient of correlation of < 0.99.

Therefore, it was decided it was decided to perform a third experiment and to calculate the coefficient of correlation for the Experiment 1/Experiment 2/Experiment 3, Experiment 1/Experiment 3 and Experiment 2/Experiment 3. Coefficient of correlation was >0.99 for the Experiment 1/Experiment 3. Based on this, the results from Experiment 2 were excluded. The results of the isothermal TGA analysis for the test item are given in Table 1. The vapour pressure at 20 °C and 25 °C calculated using the curve obtained with data of Experiment 1/Experiment 3 is given in Table 2.

Table 1       Results of the isothermal TGA analysis

Experiment	Temperature [°C]	Weight loss [µg/min]	νT [g/cm^2/h]	log νT	log PT	PT [Pa]
1	35	12.1311	1.45´10^-3	-2.84	1.15	14
	40	18.2033	2.17´10^-3	-2.66	1.39	24
	45	26.8036	3.20´10^-3	-2.49	1.61	41
	50	41.1318	4.91´10^-3	-2.31	1.86	73
2^1	35	9.11598	1.09´10^-3	-2.96	0.98	9.6
	40	13.8155	1.65´10^-3	-2.78	1.22	17
	45	20.9553	2.50´10^-3	-2.60	1.47	29
	50	31.1613	3.72´10^-3	-2.43	1.70	50
3	35	11.8159	1.41´10^-3	-2.85	1.13	14
	40	17.9382	2.14´10^-3	-2.67	1.38	24
	45	26.7001	3.19´10^-3	-2.50	1.61	41
	50	39.0815	4.67´10^-3	-2.33	1.83	68

Table 2       Vapour pressure of the test item

Temperature (ºC)	Log PT	PT (Pa)	PT (mm Hg)
20	0.36	2.3	1.7 x 10^-2
25	0.63	4.3	3.2 x 10^-2

 

Conclusions:

The isothermal TGA effusion method was applied for the determination of the vapour pressure of the test item.

The vapour pressure of the test item at 20 °C (293K) and 25 °C (298K) was 2.3 Pa (1.7 x 10-2 mm Hg) and 4.3 Pa (3.2 x 10-2), respectively.

Executive summary:

The vapour pressure of the test substance was determined using the isothermal TGA effusion method in accordance with EU Method A.4.

 

The vapour pressure of the test item at 20 °C (293K) and 25 °C (298K) was 2.3 Pa (1.7 x 10-2 mm Hg) and 4.3 Pa (3.2 x 10-2), respectively.

Description of key information

VP: 2.3 Pa at 20 ºC, EU Method A.4 - isothermal TGA effusion method, Anon, 2017.

Key value for chemical safety assessment

Vapour pressure:

2.3 Pa

at the temperature of:

20 °C

Additional information

The vapour pressure of the test substance was determined using the isothermal TGA effusion method in accordance with EU Method A.4.

 

The vapour pressure of the test item at 20 °C (293K) and 25 °C (298K) was 2.3 Pa (1.7 x 10 ^-2 mm Hg) and 4.3 Pa (3.2 x 10^-2), respectively.