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Vapour pressure

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Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
no data
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Remarks:
Procedure similar to guideline and sample identification described with sufficient details. Restrictions due to lack of details on apparatus, and extrapolation.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
GLP compliance:
no
Type of method:
dynamic method
Temp.:
20 °C
Vapour pressure:
260 Pa
Remarks on result:
other: extrapolated

Vapor pressures of exo-THDCPD:

 Psat (kPa)  T (K)
 2.0  335.45
 3.5  349.97
 5.0  360.37
 10.0  379.33
 15.0  391.56
 20.0  400.07
 25.0  407.31
 30.0  413.28
 35.0  418.87
 40.0  423.10
 45.0  427.50
 50.0  431.46
 55.0  434.98
 60.0  438.26
 65.0  441.37
 70.0  444.02
 75.0  447.09
 80.0  449.62
 85.0  452.19
 90.0  454.39
 95.0  456.75
 100.0  458.83
 101.4  459.38

The experimental vapor pressure data were fitted to the Antoine equation:

ln Psat (kPa) = 17.01851 − (6339.506 / (52.047 + T (K)))

The correlation coefficient (r2) of the fitted for pure component was 0.9999.

The standard deviation of recalculated vapor pressures was 0.00081.

The vapour pressure at 20°C was extrapolated from the above equation.

Conclusions:
Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), < 500 Pa).
Executive summary:

The vapour pressure of pure exo-THDCPD was measured with a procedure similar to the OECD104 guideline, dynamic method.

23 measurements were recorded between 2.0 and 101.4 kPa. The coefficients of the non-linear Antoine's equation between VP and 1/T were calculated.

From this relationship, the vapour pressure of the substance, extrapolated to the reference temperature of 20°C, is 260 Pa.

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
no data
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Remarks:
Procedure and sample identification are described with sufficient details. Restrictions due to distant extrapolation.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
GLP compliance:
no
Type of method:
dynamic method
Temp.:
393.98 K
Vapour pressure:
15 kPa
Remarks on result:
other:
Remarks:
measurement at the lowest temperature (120.8°C)
Temp.:
20 °C
Vapour pressure:
0.023 kPa
Remarks on result:
other:
Remarks:
extrapolated

Bubble-Point Vapor Pressure Data:

 T (K)  VP (kPa)
 393.98  15.0
 396.02  16.6
 401.42  20.6
 413.88  30.3
 418.34  34.8
 426.86  44.9
 431.22  50.7
 434.56  55.8
 436.68  59.2
 439.31  63.2
441.13  66.6
 442.70  69.5
 442.81  69.8
 444.37  72.9
 446.13  75.9
 445.73  75.1
 450.08  83.9
 457.66  101.1

A nonlinear regression method is used to fit the vapor pressure data to the Antoine equation:

ln VP (kPa) = 11.7067 - (2158.84 / (T (K) - 153.53))

where VP is the vapor pressure, and T is the equilibrium temperature.

average absolute deviation (AAD) = 0.21 kPa

average relative deviation (ARD) = 0.57%

The vapour pressure at 20°C was extrapolated from the above equation.

Conclusions:
Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), << 500 Pa).
Executive summary:

The vapour pressure of the test substance was measured with a procedure similar to the OECD104 guideline, dynamic (ebulliometer) method.

Eighteen measurements were recorded between ca 15.0 and 101.1 kPa. The coefficients of the non-linear Antoine's equation between VP and 1/T were calculated.

From this relationship, the vapour pressure of the substance, extrapolated to the reference temperature of 20°C, is 0.023 kPa (23 Pa).

Description of key information

Low volatility.

Key value for chemical safety assessment

Vapour pressure:
260 Pa
at the temperature of:
20 °C

Additional information

Two reliable publications were identified. Both were considered with restrictions, due to experimental range of temperatures above ambient. Extrapolated results at the reference temerature of 20°C were quite consistent (respectively 260 Pa for Han 2006, and 23 Pa for Xing 2009), considering the measuring scale for this endpoint (ca 10-10 to 10+5 Pa). The key data was chosen based on the less distant extrapolation, i.e. Han, 2006 study.