(3R,5Z)-3-METHYL-5-CYCLOPENTADECEN-1-ONE

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:

1995-07-27 to 1995-07-28

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. No deviation affected the quality of the study. Purity is specified in the report, and isomers composition is available from the notifier. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Version / remarks:

Commission Directive 92/69/EEC

GLP compliance:

yes (incl. QA statement)

Remarks:

Inspected on 31 January 1994 / Signed on 16 March 1994

Type of method:

effusion method: vapour pressure balance

Temp.:

25 °C

Vapour pressure:

0.04 Pa

Run 1
°C	K	1/T (K^-1)	Pa	log P (Pa)
36	309.15	0.00323468	0.181347907	-0.7415
37	310.15	0.00322425	0.206072750	-0.6860
38	311.15	0.00321388	0.225952579	-0.6460
39	312.15	0.00320359	0.260992165	-0.5834
40	313.15	0.00319336	0.287577272	-0.5412
41	314.15	0.00318319	0.315314630	-0.5013
42	315.15	0.00317309	0.352991904	-0.4522
43	316.15	0.00316306	0.385768632	-0.4137
44	317.15	0.00315308	0.428637984	-0.3679
45	318.15	0.00314317	0.485750844	-0.3136
46	319.15	0.00313332	0.537741039	-0.2694
47	320.15	0.00312354	0.601614706	-0.2207

The measurements gave the regression for run 1:

Log₁₀VP (Pa) = -4607.763 / T (K) + 14.168

Error in slope is 45.672 (0.99%) and error in intercept is 0.145 (1.02%).

Coefficient of determination was calculated from the above data: R² = 0.9990

Run 2
°C	K	1/T (K^-1)	Pa	log P (Pa)
48	321.15	0.00311381	0.483224218	-0.3159
47	320.15	0.00312354	0.434149361	-0.3624
46	319.15	0.00313332	0.397055155	-0.4011
45	318.15	0.00314317	0.348063594	-0.4583
44	317.15	0.00315308	0.306402026	-0.5137
43	316.15	0.00316306	0.273403176	-0.5632
42	315.15	0.00317309	0.243541785	-0.6134
41	314.15	0.00318319	0.216123725	-0.6653
40	313.15	0.00319336	0.194869523	-0.7103
39	312.15	0.00320359	0.177474672	-0.7509
38	311.15	0.00321388	0.157830847	-0.8018
37	310.15	0.00322425	0.144003815	-0.8416
36	309.15	0.00323468	0.128635819	-0.8906
35	308.15	0.00324517	0.113073467	-0.9466
34	307.15	0.00325574	0.102425542	-0.9896
33	306.15	0.00326637	0.092416215	-1.0343
32	305.15	0.00327708	0.083475845	-1.0784
31	304.15	0.00328785	0.077492461	-1.1107
30	303.15	0.0032987	0.072536386	-1.1394
29	302.15	0.00330961	0.064442853	-1.1908
28	301.15	0.0033206	0.058737120	-1.2311
27	300.15	0.00333167	0.052073490	-1.2834
26	299.15	0.0033428	0.047839309	-1.3202

The measurements gave the regression for run 2:

Log₁₀VP (Pa) = -4399.336 / T (K) + 13.356

Error in slope is 58.616 (1.33%) and error in intercept is 0.189 (1.42%).

Coefficient of determination was calculated from the above data: R²= 0.9963

Run 3
°C	K	1/T (K^-1)	Pa	log P (Pa)
26	299.15	0.0033428	0.036386195	-1.4391
27	300.15	0.00333167	0.038732348	-1.4119
28	301.15	0.0033206	0.040745319	-1.3899
29	302.15	0.00330961	0.044118782	-1.3554
30	303.15	0.0032987	0.046714821	-1.3305
31	304.15	0.00328785	0.050935120	-1.2930
32	305.15	0.00327708	0.054489056	-1.2637
33	306.15	0.00326637	0.060111493	-1.2210
34	307.15	0.00325574	0.063526604	-1.1970
35	308.15	0.00324517	0.067025009	-1.1738
36	309.15	0.00323468	0.074313354	-1.1289
37	310.15	0.00322425	0.080171795	-1.0960
38	311.15	0.00321388	0.086307888	-1.0639
39	312.15	0.00320359	0.096803105	-1.0141
40	313.15	0.00319336	0.109908243	-0.9590
41	314.15	0.00318319	0.124207282	-0.9059
42	315.15	0.00317309	0.129066179	-0.8892
43	316.15	0.00316306	0.143268040	-0.8439
44	317.15	0.00315308	0.156734125	-0.8048
45	318.15	0.00314317	0.171810587	-0.7650
46	319.15	0.00313332	0.183596882	-0.7361
47	320.15	0.00312354	0.195230469	-0.7095
48	321.15	0.00311381	0.209099149	-0.6796
49	322.15	0.00310414	0.223009476	-0.6517
50	323.15	0.00309454	0.230339468	-0.6376

The measurements gave the regression for run 3:

Log₁₀VP (Pa) = -3452.622 / T (K) + 10.064

Error in slope is 53.446 (1.55%) and error in intercept is 0.172 (1.71%).

Coefficient of determination was calculated from the above data: R²= 0.9945

The following results were obtained from the regression equations:

Run	Log10 VP (25°C)
1	-1.287
2	-1.400
3	-1.516
mean	-1.401
Vapour pressure (Pa)	4.0 x 10^-2

The test material did not change in apperance under the conditions used in the determination.

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 under GLP according to EU A4 guideline, vapour pressure balance method.

Three runs were performed, with respectively 12 measurements recorded between 36 and 47°C, 23 measurements recorded between 48 and 26°C, and 25 measurements recorded between 26 and 50°C. The slope and intercept of the linear relashionship betweenlog VP and 1/T were calculated for each run.

Vapour pressure at 25°C was derived from the mean log VP extrapolated from these equations, as 0.040 Pa.

Reference 2

Endpoint:

vapour pressure

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Justification for type of information:

Based on structural similarity (the target substance is one of the constituents of the source substance, together with isomers), and comparing boiling range/point, respectively 316.8 to 339.8°C (under 988.6 mbar) for the tested substance (multiconstituent, racemate pairs of three isomers; Toxicol 1992), and 337°C (under 97.2 kPa) for the present dossier (single optical isomer; Firmenich 2010; please refer to IU section 4.3), both substances are not expected to have significantly different vapour pressure, or the target isomer may have a slightly lower vapour pressure. Therefore the result of the study will be considered as a limit value for the target substance.
Further information is included in IUCLID Section 13.

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across: supporting information

Reason / purpose for cross-reference:

read-across: supporting information

Key result

Temp.:

25 °C

Vapour pressure:

<= 0.04 Pa

Conclusions:

(from analogue) Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), << 500 Pa).

Executive summary:

The vapour pressure of the analogue test substance was measured under GLP according to EU A4 guideline, vapour pressure balance method.

Three runs were performed, with respectively 12 measurements recorded between 36 and 47°C, 23 measurements recorded between 48 and 26°C, and 25 measurements recorded between 26 and 50°C. The slope and intercept of the linear relashionship betweenlog VP and 1/T were calculated for each run.

Vapour pressure at 25°C was derived from the mean log VP extrapolated from these equations, as 0.040 Pa.

A similar, or slightly lower, VP is anticipated for the target substance.

Description of key information

Low volatility (from analogue).

VP = 0.04 Pa at 25°C for the source reaction mass of isomers; expected similar, or slightly lower for the target isomer.

Key value for chemical safety assessment

Vapour pressure:

0.04 Pa

at the temperature of:

25 °C

Additional information

No data is available on the dossier substance itself, but a fully reliable experimental study, conducted according to a recognized EU method and under GLP, is available on an analogue substance (reaction mass of isomers). It should be noted that, due to the multi-isomers nature of the substance tested, this result may refer to the most volatile one.

The present dossier substance is one of the components of the substance tested, together with isomers. Comparing their boiling points, the experimental vapour pressure result should be considered as a maximum value.

It is retained as a worst-case key data.