(3aα,4β,7β,7aα)-octahydro-4,7-methano-1H-indene

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

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.

Reference 2

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.