Nonyl acetate

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2006

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

The study was conducted according to transpiration method, also called gas saturation method described in OECD 104 and EU A.4 guidelines. The method was very well described. However, all original data were not reported, in particular, the measurements performed with three differents gas flow rates showing no dependence of flow rate on calculated vapour pressures.

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

publication

Title:

Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates

Author:

Krasnykh

Year:

2006

Bibliographic source:

Krasnykh, Eugen L.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan - Journal of Chemical Thermodynamics, 2006 , vol. 38, p. 717 - 723

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

not specified

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

not specified

GLP compliance:

not specified

Type of method:

gas saturation method

Remarks:

also called transpiration method (as cited in the publication)

Test material

Test material information

Constituent 1

Reference substance name:

Nonyl acetate

EC Number:

205-585-8

EC Name:

Nonyl acetate

Cas Number:

143-13-5

Molecular formula:

C11H22O2

IUPAC Name:

nonyl acetate

Test material form:

other: liquid

Details on test material:

With the test item Nonyl acetate (as reported in the publication), other samples of n-alkyl actetates C8-C16 were prepared and purified at the Institute of Organic Chemistry and Biochemistry, Academy of Science in Prague. The degree of purity of all samples was controlled using a Hewlett-Packard gas chromatograph 5890 Series II equipped with a flame ionization detector and a Hewlett-Packard 3390A integrator. The carrier gas (nitrogen) flow was 12,1 cm3.s-1. A capillary column HP-5 was used with a column lenth of 30 m, an inside diameter of 0,32 mm, and a film thickness of 0,25 µm. The standard temperature program of the gas chromatography (GC) was T=333K for 180s followed by a heating rate of 0,167K.s-1 to T= 523K. No impurities (greater than mass fraction 0,003) could be detected in the samples used for the vapour pressure measurements.

Results and discussion

Vapour pressure

Vapour pressure 1

Temp.:

20 °C

Vapour pressure:

3.56 Pa

Vapour pressure 2

Temp.:

25 °C

Vapour pressure:

5.64 Pa

Any other information on results incl. tables

Results for the vapour pressure p obtained by the transpiration method (as published in the publication) :

Temperature of saturation [T(K)]	Mass of transferred sample condensed at T = 243 K. [m(mg)]	Volume of nitrogen used to transfer mass m of sample. VN2(dm^3)	Gas-flow (dm^3.h^-1)	Vapour pressure at temperature T calculated from m and the residual vapour pressure at T = 243 K [p(Pa)]
276,7	0,41	7,78	3,56	0,7
278,7	0,38	6	3,56	0,86
281,8	0,42	4,75	3,56	1,17
284,8	0,39	3,27	3,56	1,59
287,8	0,38	2,38	3,56	2,14
290,9	0,4	1,84	3,56	2,89
294	0,38	1,31	3,56	3,89
297	0,38	1,01	3,56	5,04
300	0,42	0,832	3,56	6,72
303,1	0,4	0,594	3,56	8,95
306,1	0,36	0,416	3,56	11,38
309,2	0,33	0,297	3,56	14,56

The calculation results are presented in the following table:

T	P	1/T	log10(P)
K	Pa	1/K	log10 (Pa)
276,7	0,7	0,00361402	-0,15490196
278,7	0,86	0,00358809	-0,06550155
281,8	1,17	0,00354862	0,06818586
284,8	1,59	0,00351124	0,20139712
287,8	2,14	0,00347464	0,33041377
290,9	2,89	0,00343761	0,46089784
294	3,89	0,00340136	0,5899496
297	5,04	0,003367	0,70243054
300	6,72	0,00333333	0,82736927
303,1	8,95	0,00329924	0,95182304
306,1	11,38	0,00326691	1,05614226
309,2	14,56	0,00323415	1,16316137

Linear Regression Parameters :

Parameter	Value
Slope B	-3493,6
Intercept A	12,469
Correlation coefficient r	0,99995

Using the equation log P = B*1/T + A, values of vapour pressure at 20°C and 25 °C were calculated.

Applicant's summary and conclusion

Conclusions:

Using transpiration method, also called gas saturation method and described in OECD 104 guideline and EU method A.4, vapour pressures of 3,56 Pa at 20°C and 5,64 Pa at 25 °C were calculated for the Nonyl Acetate.
These values were calculated from the regression of 12 individual measurements.

Executive summary:

Vapour pressures of Nonyl acetate at several temperatures were measured using transpiration method, also called gas saturation method and described in OECD 104 guideline and EU method A.4. Thanks to the equation log P = B*1/T + A and the linear regression parameters of 12 individual measurements between 276,7 and 309,2K , the vapour pressures of the test item were calculated as 3,56 Pa at 20°C and 5,64 Pa at 25.0 °C.

The correlation coefficient r being 0.99995, the linear regression is considered very good and the results are considered as valid. No observations were made which might cause doubts concerning the validity of the study outcome.