3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2,2-dimethylpropanenitrile

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental starting date: 15 March 2016 Experimental completion date: 17 March 2016

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

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: vapour pressure balance

Specific details on test material used for the study:

Identification: ES421 Pinyl Nitrile
Appearance/Physical state: White solid
Batch: SM15077102
Purity: 98.08%
Expiry date: 22 July 2016
Storage conditions: Approximately 4 °C in the dark

Key result

Test no.:

#3

Temp.:

25 °C

Vapour pressure:

3.4 Pa

Remarks on result:

other: A total of 4 runs were completed for the main sequence. Equilibrium with regard to vapor pressure was assessed to have been reached over the final 3 runs. Tthe final 3 runs have been used to calculate definitive vapor pressure value of the test item.

The values of vapor pressure at 25 °C extrapolated from each graph are summarized in the following table:

Table 4–Summary of Vapor Pressure Data

Run	Log10[Vp(25ºC)]
2	0.522
3	0.530
4	0.544
Mean	0.532
Vapor Pressure	3.40 Pa

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

Table1– Run 2 Vapor Pressure Data

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10Vp
2	275.15	0.003634381	155.50	1.555E-07	0.215873839	-0.665799985
3	276.15	0.003621220	174.25	1.743E-07	0.241903643	-0.616357592
4	277.15	0.003608154	203.33	2.033E-07	0.282274133	-0.549328918
5	278.15	0.003595182	228.22	2.282E-07	0.316827830	-0.499176678
6	279.15	0.003582303	259.26	2.593E-07	0.359919302	-0.443794862
7	280.15	0.003569516	276.37	2.764E-07	0.383672366	-0.416039480
8	281.15	0.003556820	333.59	3.336E-07	0.463108385	-0.334317355
9	282.15	0.003544214	380.58	3.806E-07	0.528342544	-0.277084417
10	283.15	0.003531697	421.74	4.217E-07	0.585483169	-0.232485585
11	284.15	0.003519268	478.85	4.789E-07	0.664766481	-0.177330887
12	285.15	0.003506926	536.01	5.360E-07	0.744119205	-0.128357487

A plot of Log₁₀(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 2
(seeFigure 2) gives the following statistical data using an unweighted least squares treatment.

Slope:	-4.24 x 10^3
Standard error in slope:	67.5
Intercept:	14.8
Standard error in intercept:	0.241

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -4.24 x 10³/temp(K) + 14.8

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.522.

Table2– Run 3 Vapor Pressure Data

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10Vp
2	275.15	0.003634381	154.69	1.547E-07	0.214749351	-0.668068139
3	276.15	0.003621220	172.04	1.720E-07	0.238835596	-0.621900945
4	277.15	0.003608154	193.34	1.933E-07	0.268405453	-0.571208664
5	278.15	0.003595182	219.88	2.199E-07	0.305249773	-0.515344650
6	279.15	0.003582303	253.71	2.537E-07	0.352214480	-0.453192793
7	280.15	0.003569516	282.50	2.825E-07	0.392182376	-0.406511927
8	281.15	0.003556820	325.43	3.254E-07	0.451780215	-0.345072793
9	282.15	0.003544214	367.03	3.670E-07	0.509531673	-0.292828815
10	283.15	0.003531697	420.08	4.201E-07	0.583178664	-0.234198373
11	284.15	0.003519268	481.62	4.816E-07	0.668611950	-0.174825865
12	285.15	0.003506926	534.92	5.349E-07	0.742606006	-0.129241543

A plot of Log₁₀(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 3
(seeFigure 3) gives the following statistical data using an unweighted least squares treatment.

Slope:	-4.31 x 10^3
Standard error in slope:	43.3
Intercept:	15.0
Standard error in intercept:	0.155

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -4.31 x 10³/temp(K) + 15.0

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.530.

Table3– Run 4 Vapor Pressure Data

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10Vp
2	275.15	0.003634381	151.78	1.518E-07	0.210709526	-0.676315830
3	276.15	0.003621220	168.68	1.687E-07	0.234171056	-0.630466786
4	277.15	0.003608154	191.63	1.916E-07	0.266031535	-0.575066879
5	278.15	0.003595182	221.65	2.217E-07	0.307706986	-0.511862643
6	279.15	0.003582303	249.95	2.500E-07	0.346994637	-0.459677238
7	280.15	0.003569516	287.84	2.878E-07	0.399595664	-0.398379233
8	281.15	0.003556820	325.17	3.252E-07	0.451419268	-0.345419908
9	282.15	0.003544214	369.70	3.697E-07	0.513238317	-0.289680928
10	283.15	0.003531697	420.89	4.209E-07	0.584303151	-0.233361771
11	284.15	0.003519268	473.37	4.734E-07	0.657158837	-0.182329648
12	285.15	0.003506926	542.27	5.423E-07	0.752809689	-0.123314800

A plot of Log₁₀(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 4
(seeFigure 4) gives the following statistical data using an unweighted least squares treatment.

Slope:	-4.38 x 10^3
Standard error in slope:	29.5
Intercept:	15.2
Standard error in intercept:	0.105

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -4.38 x 10³/temp(K) + 15.2

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.544.

Conclusions:

The vapor pressure of the test item has been determined to be 3.4 Pa at 25 ºC.

Executive summary:

Thevapor pressureof ES421 Pinyl Nitrilehas been determinedto be 3.4Pa at 25 °C, using the vapor pressure balance method, designed to be compatible with Method A.4 Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008andMethod 104 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.

Description of key information

Thevapor pressureofES421 Pinyl Nitrilehas been determinedto be 3.4Pa at 25 °C, using the vapor pressure balance method, designed to be compatible with Method A.4 Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008andMethod 104 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.

Key value for chemical safety assessment

Vapour pressure:

3.4 Pa

at the temperature of:

25 °C

Additional information

A total of 4 runs were completed for the main sequence. Equilibrium with regard to vapor pressure was assessed to have been reached over the final 3 runs. Thus the final 3 runs have been used to calculate the definitive vapor pressure value for the test item.