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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
June 1984
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: scientifically acceptable, well documented study
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
1981
GLP compliance:
no
Type of method:
dynamic method
Key result
Temp.:
20 °C
Vapour pressure:
0.005 hPa
Remarks on result:
other: extrapolated from the determined regression equation

The regression of the results leads with a mean relative deviation of 0.34% to the following equotation:

ln p (bar) = 11.8753 - 4951.47/(184.92+T[°C])

The vapour pressure at 20°C was calculated from the regression equation.

Calculated boiling temperature (from regression equation) at 1013 hPa is 232.5 °C. This matches closely with the boiling temperature determined in the valid key study (photocell detection) of 236 °C.

Experimental data and calculated values from regression:

Temperature Vapour pressure Vapour pressure Vapour pressure Absolute relative
T [°C] measured [mbar] Regression [mbar] Regression [Pa] deviation
20 -- 0.00 0.46  --
25 -- 0.01 0.82  --
35 -- 0.02 2.39  --
54.48 0.15 0.15 14.96 2.65E-03
57.78 0.2 0.20 19.82 9.07E-03
62.85 0.3 0.30 30.09 2.89E-03
69.33 0.5 0.50 50.07 1.40E-03
73.89 0.7 0.71 70.57 8.08E-03
78.78 1 1.01 100.62 6.17E-03
88.79 2 2.00 199.94 2.97E-04
95.02 3 2.99 299.05 3.16E-03
103.34 5 4.98 498.26 3.47E-03
109.12 7 6.98 698.39 2.30E-03
115.49 10 9.98 998.10 1.90E-03
128.69 20 19.97 1997.40 1.30E-03
136.96 30 29.97 2996.67 1.11E-03
148.11 50 50.15 5015.49 3.10E-03
  mean relative deviation in %:     0.34%
Conclusions:
Vapour pressure (OECD 104): 0.46 Pa (20°C)
Executive summary:

The vapour pressure of the submission substance was determined equivalent to OECD 104 applying the dynamic method.

Based on 14 measured values between 54.5 °C and 148.1 °C the following regression equation was obtained (mean relative deviation: 0.34%):

ln p (bar) = 11.8753 - 4951.47/(184.92+T[°C])

The vapour pressure at 20°C was calculated from this regression equation:

Vapour pressure (OECD 104): 0.46 Pa (20°C).

The calculated boiling temperature (from regression equation) at 1013 hPa is 232.5 °C. This matches closely with the boiling temperature determined in the valid key study (photocell detection) of 236 °C.

Description of key information

0.0046 hPa at 20 °C

Key value for chemical safety assessment

Vapour pressure:
0.005 hPa
at the temperature of:
20 °C

Additional information

The vapour pressure of the submission substance was determined equivalent to OECD 104 applying the dynamic method (BASF 1984).

Based on 14 measured values between 54.5 °C and 148.1 °C the following regression equation was obtained (mean relative deviation: 0.34%):

ln p (bar) = 11.8753 - 4951.47/(184.92+T[°C])

The vapour pressure at 20°C was calculated from this regression equation:

Vapour pressure (OECD 104): 0.46 Pa (20°C).

The calculated boiling temperature (from regression equation) at 1013 hPa is 232.5 °C. This matches closely with the boiling temperature determined in the valid key study (photocell detection) of 236 °C.

Data supporting the results of the valid key study are available (BASF 2012), giving very similar results:

The vapour pressure of the submission substance was determined equivalent to OECD 104 applying the dynamic method.

Based on 17 measured values between the tempearature range of 73.4 to 231.5 °C the following regression equation was obtained (mean relative deviation: 0.50%):

ln(p/Pa) = 243.35865 - 17024.3923 / T[K] - 34.25424*lnT[K] + 0.02988*T[K]

The vapour pressure at 20°C was calculated from this regression equation:

Vapour pressure (OECD 104): 0.0058 hPa (20°C).