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J Chromatogr A

Title:		Determining the vapour pressures of plant volatiles from gas chromatographic retention data
Author(s):		Hoskovec M; Grygarova D; Cvaeka J; Streinz L; Zima J; Verevkin SP; Koutek B;
Address:		"Department of Natural Products, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nam. 2, CZ-166 10 Prague 6, Czech Republic"
Journal Title:		J Chromatogr A
Year:		2005
Volume:		1083
Issue:		1-Feb
Page Number:		161 - 172
DOI:		10.1016/j.chroma.2005.06.006
ISSN/ISBN:		0021-9673 (Print) 0021-9673 (Linking)
Abstract:		"The frequently used vapour pressure versus Kovats retention index relationship has been evaluated in terms of its universal applicability, highlighting the problems associated with predicting the vapour pressures of structurally divergent organic compounds from experimentally measured isothermal Kovats retention indices. Two models differing in approximations adopted to express the activity coefficient ratio have been evaluated using 32 plant volatiles of different structural types as a test set. The validity of these models was established by checking their ability to reproduce 22 vapour pressures known from independent measurements. Results of the comparison demonstrated that (i) the original model, based on the assumption of equal activity coefficients for the test and reference substances, led, as expected, to a poor correlation (r2 = 89.1% only), with significantly deviating polar compounds and (ii) the model showed significant improvement after incorporating a new empirical term related to vaporization entropy and boiling point. The addition of this term allowed more than 99% of the vapour pressure variance to be accounted for. The proposed model compares favourably with existing correlations, while having an added advantage of providing a convenient tool for vapour pressure determination of chemically divergent chemicals"
Keywords:		"Chromatography, Gas/*methods Plants/*chemistry Pressure Temperature Terpenes/*chemistry Thermodynamics *Volatilization;"
Notes:		"MedlineHoskovec, Michal Grygarova, Dana Cvaeka, Josef Streinz, Ludvik Zima, Jiri Verevkin, Sergey P Koutek, Bohumir eng Evaluation Study Research Support, Non-U.S. Gov't Netherlands 2005/08/05 J Chromatogr A. 2005 Aug 12; 1083(1-2):161-72. doi: 10.1016/j.chroma.2005.06.006"