13-ethyl-11-methylene-gon-4-ene-3,17-dione

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22 June 2020 - 29 July 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Version / remarks:

2006

Deviations:

no

GLP compliance:

yes

Type of method:

effusion method: isothermal thermogravimetry

Test material

Test material information

Constituent 1

Reference substance name:

(3aS,3bS,9aR,9bS,11aS)‐11a‐ethyl‐10‐methylidene‐1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH‐cyclopenta[a]phenanthrene‐1,7‐dione

Cas Number:

54024-17-8

Molecular formula:

C20 H26 O2

IUPAC Name:

(3aS,3bS,9aR,9bS,11aS)‐11a‐ethyl‐10‐methylidene‐1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH‐cyclopenta[a]phenanthrene‐1,7‐dione

Test material form:

solid: particulate/powder

Details on test material:

Storage Conditions: In refrigerator (2-8°C)

Specific details on test material used for the study:

Melting temperature: 156.2°C

Results and discussion

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

<= 0 Pa

Vapour pressure 2

Key result

Temp.:

25 °C

Vapour pressure:

<= 0 Pa

Any other information on results incl. tables

Table: Results of the vapour pressure isothermal TGA analysis (substance)

Experiment	Temperature [°C]	Weight loss [μg/min]	VT [g/cm^2/h]	log VT	log PT	PT [Pa]
1^1	160 170 180 190	5.78990 10.9029 20.1524 34.4823	6.91E-4 1.30E-3 2.41E-3 4.12E-3	-3.16 -2.89 -2.62 -2.62	1.07 1.38 1.68 1.94	12 24 48 87
2	160 170 180 190	4.91951 8.07804 14.0375 22.4287	5.87E-4 9.64E-4 1.68E-3 2.68E-3	-3.23 -3.02 -2.78 -2.58	0.99 1.23 1.50 1.73	9.8 17 32 54
3	160 170 180 190	4.83530 8.17155 12.9731 22.0487	5.77E-4 9.75E-4 1.55E-3 2.63E-3	-3.24 -3.01 -2.81 -2.58	0.98 1.24 1.46 1.72	9.6 17 29 53

 

¹ Experiment 1 was not used in calculation.

 

 

Vapour pressure curve: log P_T = -4952 x 1/T + 1241 (r = 0.9992, n = 8)

 

 

Applicant's summary and conclusion

Conclusions:

The vapour pressure of the substance at 20°C and 25°C was determined to be ≤ 3.3E-5 Pa and ≤ 6.4E-5 Pa, respectively

Executive summary:

The vapour pressure of the substance was determined using the isothermal thermogravimetric effusion method in a GLP study based on EC A.4 and OECD 104. Validation of the method was performed using a set of five reference substances.

The vapour pressure regression curve (log P_T as function of 1/T; with T in K) of the substance was constructed from weight losses measured at 160°C, 170°C, 180°C and 190°C.

The vapour pressure of the substance at 20°C and 25°C was calculated from the vapour pressure curve to be 3.3E-5 Pa and 6.4E-5 Pa, respectively.

 

Since the weight losses of the test item were obtained with a temperature program of above the melting temperature of the test item, the vapour pressure of the test item could be slightly overestimated. The vapour pressure of the substance at 20°C and 25°C was therefore reported as ≤ 3.3E-5 Pa and ≤ 6.4E-5 Pa, respectively.