6,8-Dioxabicyclo[3.2.1]octan-4-one, (1S,5R)-

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14-16 May 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

The Department of Health of the Government of the United Kingdom

Type of method:

effusion method: vapour pressure balance

Key result

Test no.:

#1

Temp.:

25 °C

Vapour pressure:

28 Pa

Results of 7 runs are given in tables below:

Run 1

Temperature [°C]	Reciprocal temperature [K^-1]	Mass difference [µg]	Log VP
-15	0.003873717	212.80	-0.529558755
-14	0.003858769	249.99	-0.459607742
-13	0.003843936	277.62	-0.414079629
-12	0.003829217	317.70	-0.355513164
-11	0.003814610	368.09	-0.291576360
-10	0.003800114	424.63	-0.229519705
-9	0.003785728	456.96	-0.197652193
-8	0.003771450	530.73	-0.132656742
-7	0.003757280	598.37	-0.080560567
-6	0.003743215	676.23	-0.027435945
-5	0.003729256	755.54	0.020727083

Run 2

Temperature [°C]	Reciprocal temperature [K^-1]	Mass difference [µg]	Log VP
-15	0.003873717	214.46	-0.526184077
-14	0.003858769	244.26	-0.469678026
-13	0.003843936	279.97	-0.410418881
-12	0.003829217	320.83	-0.351255407
-11	0.003814610	362.71	-0.297970849
-10	0.003800114	411.93	-0.242706957
-9	0.003785728	453.99	-0.200484092
-8	0.003771450	520.57	-0.141051242
-7	0.003757280	588.18	-0.088020126
-6	0.003743215	670.57	-0.031086259
-5	0.003729256	743.26	0.013610382

Run 3

Temperature [°C]	Reciprocal temperature [K^-1]	Mass difference [µg]	Log VP
-15	0.003873717	215.27	-0.524546868
-14	0.003858769	248.30	-0.462553659
-13	0.003843936	281.15	-0.408592291
-12	0.003829217	315.05	-0.359150895
-11	0.003814610	363.61	-0.296894560
-10	0.003800114	406.76	-0.248192140
-9	0.003785728	473.74	-0.181990323
-8	0.003771450	528.59	-0.134411436
-7	0.003757280	595.53	-0.082626735
-6	0.003743215	663.16	-0.035912056
-5	0.003729256	750.23	0.017664048

Run 4

Temperature [°C]	Reciprocal temperature [K^-1]	Mass difference [µg]	Log VP
-15	0.003873717	209.78	-0.535766298
-14	0.003858769	250.59	-0.458566643
-13	0.003843936	277.98	-0.413516828
-12	0.003829217	320.09	-0.352258272
-11	0.003814610	362.58	-0.298126534
-10	0.003800114	420.29	-0.233981322
-9	0.003785728	463.15	-0.191808710
-8	0.003771450	539.21	-0.125772441
-7	0.003757280	590.90	-0.086016389
-6	0.003743215	667.09	-0.033355948
-5	0.003729256	762.70	0.024823368

Run 5

Temperature [°C]	Reciprocal temperature [K^-1]	Mass difference [µg]	Log VP
-15	0.003873717	205.46	-0.544803095
-14	0.003858769	240.78	-0.475909969
-13	0.003843936	282.80	-0.406050974
-12	0.003829217	320.15	-0.352176873
-11	0.003814610	358.09	-0.303538186
-10	0.003800114	412.07	-0.242559381
-9	0.003785728	460.82	-0.193999059
-8	0.003771450	520.27	-0.141301595
-7	0.003757280	592.99	-0.084483009
-6	0.003743215	658.04	-0.039278085
-5	0.003729256	749.41	0.017189105

Run 6

Temperature [°C]	Reciprocal temperature [K^-1]	Mass difference [µg]	Log VP
-15	0.003873717	197.93	-0.561018754
-14	0.003858769	242.07	-0.473589409
-13	0.003843936	271.63	-0.423552645
-12	0.003829217	309.15	-0.367361128
-11	0.003814610	354.47	-0.307950893
-10	0.003800114	401.16	-0.254212756
-9	0.003785728	455.37	-0.199165963
-8	0.003771450	515.64	-0.145183779
-7	0.003757280	582.23	-0.092435800
-6	0.003743215	658.40	-0.039040557
-5	0.003729256	755.02	0.020428077

Run 7

Temperature [°C]	Reciprocal temperature [K^-1]	Mass difference [µg]	Log VP
-15	0.003873717	210.50	-0.534278279
-14	0.003858769	240.50	-0.476415298
-13	0.003843936	274.82	-0.418482043
-12	0.003829217	310.42	-0.365580684
-11	0.003814610	355.17	-0.307094103
-10	0.003800114	399.36	-0.256165815
-9	0.003785728	450.08	-0.204240664
-8	0.003771450	516.03	-0.144855428
-7	0.003757280	578.28	-0.095392206
-6	0.003743215	653.41	-0.042344602
-5	0.003729256	752.02	0.018699012

Summary results:

Run	Slope	SE in slope	Intercept	SE in intercept	Log [VP(25 °C)]
1	-3.79E+03	46.8	14.2	0.178	1.45
2	-3.74E+03	27.7	14.0	0.105	1.42
3	-3.75E+03	29.7	14.0	0.113	1.43
4	-3.81E+03	48.0	14.2	0.182	1.45
5	-3.81E+03	49.9	14.2	0.190	1.45
6	-3.90E+03	50.4	14.6	0.192	1.48
7	-3.79E+03	19.2	14.1	0.0728	1.43
Mean					1.45
Vapour pressure					27.9 Pa

SE = standard error

The test item did not change in appearance under the conditions used in the determinations.

Conclusions:

A vapour pressure value of 28 Pa at 25°C was determined for the substance using a relevant test method and in compliance with GLP. The result is considered to be reliable.

Description of key information

Vapour pressure (Cyrene™): 28 Pa at 25°C (OECD 104)

Vapour pressure (Gem Diol): 0.4 Pa at 25°C (QSAR)

Key value for chemical safety assessment

Vapour pressure:

28 Pa

at the temperature of:

25 °C

Additional information

A vapour pressure value of 28 Pa at 25°C was determined for the submission substance using an effusion method - vapour pressure balance in accordance with OECD Test Guideline 104 and in compliance with GLP. The result is considered to be reliable.

 

This measured vapour pressure reflects the vapour pressure for Cyrene™ as placed on the market. In aqueous solution, Cyrene™ hydrates to form the Gem Diol; a separate vapour pressure is reported for this specie.

A vapour pressure of 0.4 Pa at 25°C has been predicted for the Gem Diol form of Cyrene™ using an established QSAR method. The result is considered to be reliable. It is not possible to carry out an experimental vapour pressure study for the Gem Diol form because it is only present in aqueous solution.