Determination of Vapour Pressure and Related Thermodynamic Properties of Polycyclic Aromatic Compounds

Govers, H.A.J.; Ruts, E.; Wielen, F.W.M. van der; Haelst, A.G. van

doi:10.1080/10406639608031204

Cited by 8 publications

(11 citation statements)

References 4 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Detailed descriptions of the method used can be found elsewhere (1,5,6). In short, the Kováts retention indices of the un-…”

Section: Physical-chemical Modelmentioning

confidence: 99%

“…The nature of this correction is not known exactly, but good results are found by using a simple quadratic relationship of the Kováts index and the temperature according to the following equation (5): [5] After determination of the Kováts indices of the unknown compound and the square of the temperature, I 0 and I 1 can be determined by linear regression. The next step is the calculation of log P z of the n-alkanes by fitting T and z to experimental values of the vapor pressure, heat of vaporization, and heat capacity differences according to the following equation: [6] with A z = 4.877735 (± 0.014939) + 0.303157 (± 0.00222)z − 0.007281 (± 0.00007)z 2 ; B z = 485.68961 (± 5.613) − 261.5436 (± 0.47628)z + 5.8678 (± 0.005539)z 2 ; C z = −86487.5 (± 55.09) + 344.999 (± 14.2985)z − 874.879 (± 0.8257)z 2 .…”

mentioning

confidence: 99%

“…A z , B z , and C z in Equation 6 have been derived from independent measurements of vapor pressures, heats of vaporization, and heat capacity differences of the n-alkanes. Thus, A z , B z , and C z are empirical parameters for n-alkanes, A z and B z being similar to constants in the Clausius-Clapeyron equation.…”

mentioning

confidence: 99%

See 2 more Smart Citations

Determination of environmentally relevant physical‐chemical properties of some fatty acid esters

Krop

Velzen

Parsons

et al. 1997

J Americ Oil Chem Soc

View full text Add to dashboard Cite

Fat models frequently use input parameters that are defined at environmental conditions. In a recently developed gas-liquid chromatography method (GC-VAP), vapor pressures, heats of vaporization, and heat capacity differences (gas-liquid) of fatty acid esters are determined over a large temperature range that includes environmental temperatures. This method also allows an accurate determination of the normal boiling point temperature of a substance. Literature values of vapor pressure, boiling point temperature, and heat of vaporization at 298.15 K for the chosen esters are all in excellent agreement with those determined with the developed method. Correlations between carbon number and heat of vaporization are high. JAOCS 74, 309-315 (1997). KEY WORDS:Fatty acid esters, heat capacity, heat of vaporization, QSAR, solubility parameter, vapor pressure. METHODS Physical-Chemical ModelDetailed descriptions of the method used can be found elsewhere (1,5,6). In short, the Kováts retention indices of the un-

show abstract

“…Detailed descriptions of the method used can be found elsewhere (1,5,6). In short, the Kováts retention indices of the un-…”

Section: Physical-chemical Modelmentioning

confidence: 99%

mentioning

confidence: 99%

See 1 more Smart Citation

Determination of environmentally relevant physical‐chemical properties of some fatty acid esters

Krop

Velzen

Parsons

et al. 1997

J Americ Oil Chem Soc

View full text Add to dashboard Cite

show abstract

“…In another modification of the GLC–RT technique, Kováts indices are used, which require two n -alkanes as reference compounds. ,,,− …”

Section: Analysis Of Data For the Reference/calibration Compounds For...mentioning

confidence: 99%

“…While Ballschmiter ,− and Govers ,− groups developed generalized equations for the vapor pressures of n -alkanes, all but one of the other authors used the two-parameter eq for reference n -alkanes. ,,− ,,, The poor extrapolation behavior of eq was already described in the “Selection of a Suitable Vapor-Pressure Equation” section by using high-quality data for n -decane. It was also already stated that using eq over an extended temperature interval leads to errors significantly exceeding the experimental uncertainty in p 0 and biased values of vaporization enthalpies.…”

Section: Analysis Of Data For the Reference/calibration Compounds For...mentioning

confidence: 99%

Indirect Determination of Vapor Pressures by Capillary Gas–Liquid Chromatography: Analysis of the Reference Vapor-Pressure Data and Their Treatment

et al. 2012

View full text Add to dashboard Cite

Knowledge of low vapor pressures p 0 is indispensible for modeling the fate of chemicals in the environment as well as for other important applications. The indirect determination of vapor pressures by the capillary gas−liquid chromatography−relative retention time (GLC−RT) technique has attracted the attention of many research groups, and two review papers devoted to this topic have already been published. To complement these reviews, the quality of the literature vapor pressures for reference compounds is analyzed, along with the influence of the equations used for the temperature dependence of p 0 and the effects of the extrapolation interval applied. Since the GLC−RT techniques yield p 0 of subcooled liquid even in the case of solid samples, different approaches employed for the recalculation of solid vapor pressures for reference compounds to the values for subcooled liquids are discussed. It is shown that a selection and/or application of the physicochemical properties of the reference compounds can significantly influence the quality of the GLC−RT based vapor pressures and, if improperly selected/applied, even lead to vague and physico-chemically groundless results. In an effort to allow potential users to make an informed decision about what reference data and/or methodology to use to improve the reliability of the GLC−RT based vapor-pressure data, we present a set of recommendations and advisories for appropriate reference data use and manipulation.

show abstract

Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography

Haftka

Parsons

Govers

2006

Journal of Chromatography A

View full text Add to dashboard Cite

Determination of Vapour Pressure and Related Thermodynamic Properties of Polycyclic Aromatic Compounds

Cited by 8 publications

References 4 publications

Determination of environmentally relevant physical‐chemical properties of some fatty acid esters

Determination of environmentally relevant physical‐chemical properties of some fatty acid esters

Indirect Determination of Vapor Pressures by Capillary Gas–Liquid Chromatography: Analysis of the Reference Vapor-Pressure Data and Their Treatment

Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography

Contact Info

Product

Resources

About