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EC number: 210-993-4 | CAS number: 627-31-6
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- 23.03.2006
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- static method
- Temp.:
- 20 °C
- Vapour pressure:
- 342 Pa
- Remarks on result:
- other: 10 pairs temperature/vapour pressure were used to calculate a regression from which vapour pressure at ambient temperature was estimated.
- Temp.:
- 25 °C
- Vapour pressure:
- 395 Pa
- Remarks on result:
- other: 10 pairs temperature/vapour pressure were used to calculate a regression from which vapour pressure at ambient temperature was estimated.
- Conclusions:
- The vapour pressure of the test item 1,3-Diiodopropane was calculated as 342 Pa at 20.0 °C and 395 Pa at 25.0 °C, based on results in the study.
- Executive summary:
Using the static method according to OECD 104 resp. EU A.4, vapour pressures of 342 Pa at 20.0 °C and 395 Pa at 25.0 °C for 1,3-diiodopropane were determined.
These values were calculated from the regression of 10 individual measurements, which were performed in a temperature range of 16.0 – 55.0 °C.
The measured values for pressure p and temperature T were used to calculate pairs of log p and 1/T. These values were plotted; from the linear regression (Coefficient of determination r² = 0.9865), vapour pressures at ambient temperature were determined.
Reference
Measurement Values: The measured values are presented in the following table.
Measurement Values, Date: 10. Mar. 2020
1. Determination increasing temperature |
2. Determination decreasing temperature |
||||
Temp. in °C |
Time |
Pressure in hPa |
Temp. in °C |
Time |
Pressure in hPa |
20.0 |
10:00 |
3.2 |
48.0 |
13:20 |
7.2 |
29.0 |
10:43 |
4.5 |
38.9 |
14:00 |
6.0 |
38.0 |
11:20 |
5.6 |
29.9 |
14:24 |
4.9 |
47.0 |
12:05 |
6.9 |
21.0 |
15:00 |
3.5 |
55.0 |
12:49 |
8.2 |
16.0 |
15:19 |
3.0 |
CALCULATION OF RESULTS
From the measured values for the increasing and for the decreasing temperature, log p (in log Pa) and 1/T (in 1/K) were calculated. The measured and the calculated values were plotted (p against T and log p against 1/T). The regression curve with slope B, intercept A and correlation r was calculated (graph log p vs. 1/T). From the values of these parameters, vapour pressures at 20.0 and at 25.0 °C were calculated using the following equation: log p = (B*1/T) + A which can be transformed as follows: p(20 °C) = 10 EXP [(B+1/293.15)+A] and p(25 °C) = 10 EXP [(B+1/298.15)+A]
RESULTS
The calculation results are presented in the following table:
n |
Temperature T |
Pressure p |
Temperature T |
1/T |
log p |
°C |
hPa |
K |
1/K |
log Pa |
|
1 |
20.0 |
3.2 |
293.15 |
0.00341122 |
2.5051 |
2 |
29.0 |
4.5 |
302.15 |
0.00330961 |
2.6532 |
3 |
38.0 |
5.6 |
311.15 |
0.00321388 |
2.7482 |
4 |
47.0 |
6.9 |
320.15 |
0.00312354 |
2.8388 |
5 |
55.0 |
8.2 |
328.15 |
0.00304739 |
2.9138 |
6 |
48.0 |
7.2 |
321.15 |
0.00311381 |
2.8573 |
7 |
38.9 |
6.0 |
312.05 |
0.00320461 |
2.7782 |
8 |
29.9 |
4.9 |
303.05 |
0.00329979 |
2.6902 |
9 |
21.0 |
3.5 |
294.15 |
0.00339963 |
2.5441 |
10 |
16.0 |
3.0 |
289.15 |
0.00345841 |
2.4771 |
The parameters for the linear regression of the graph log (p) vs. 1/T are presented in the following table:
Parameter |
Value |
Slope |
-1090.744297 |
Intercept |
6.254459611 |
Correlation coefficient r |
-0.9932 |
Coefficient of determination r² |
0.9865 |
Using the equation stated above, vapour pressures at ambient temperature were calculated as:
Vapour Pressure (20.0 °C): 342 Pa
Vapour Pressure (25.0 °C): 395 Pa
Description of key information
Using the static method according to OECD 104 resp. EU A.4, vapour pressures of 342 Pa at 20.0 °C and 395 Pa at 25.0 °C for 1,3-diiodopropane were determined.
These values were calculated from the regression of 10 individual measurements, which were performed in a temperature range of 16.0 – 55.0 °C.
The measured values for pressure p and temperature T were used to calculate pairs of log p and 1/T. These values were plotted; from the linear regression (Coefficient of determination r² = 0.9865), vapour pressures at ambient temperature were determined.
Key value for chemical safety assessment
- Vapour pressure:
- 342 Pa
- at the temperature of:
- 20 °C
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