Advertisement

Fresenius' Journal of Analytical Chemistry

, Volume 360, Issue 7–8, pp 769–776 | Cite as

Prediction of the environmental distribution of alkyl dinitrates – Chromatographic determination of vapor pressure p0, water solubility SH2O, gas-water partition coefficient KGW (Henry’s law constant) and octanol-water partition coefficient KOW

  • Ralf G. Fischer
  • K. Ballschmiter
Conference contribution

Abstract

Alkyl nitrates are complex mixtures of homologues and isomers and are part of the large NOy pool of important atmospheric trace compounds. The knowledge of their physico-chemical parameters allows to forecast their partitioning into the environment. Water solubility, octanol-water partition coefficient, vapor pressure, and gas-water partition coefficient have been determined for 26 alkyl dinitrates by RP-HPLC and HRGC, respectively. Octanol-water partition coefficient (KOW) and water solubility (SH2O) were determined by C18 reversed-phase liquid chromatography using phenylalkanes as reference standards. Retention data obtained with methanol-water mixtures as eluents were extrapolated to 100% water. The vapor pressures were determined by capillary gas chromatography on a non polar stationary phase (CP-Sil 2, Chrompack). The octanol-water partition coefficients ranges from log KOW = 1.4 for 1,2-ethyl dinitrate up to log KOW = 5.9 for 1,2-decyl dinitrate, respectively. The experimental results are within ± 0.15 log units in agreement with calculations of log KOW by the increment method according to Hansch and Leo. Water solubilities are in the range of 154 mol/m3 (23.1 g/L) for 1,2-ethyl dinitrate and 0.002 mol/m3 (0.5 mg/L) for 1,2-decyl dinitrate, respectively. The vapor pressures p0L ranges from 196 Pa for 1,2-ethyl dinitrate to 0.01 Pa for 1,10-decyl dinitrate (sub-cooled liquid value). The gas-water partition constants (dimensionless) or Henry’s law constants ranges from KGW = 0.0005 (H = 1.28 Pa m3/mol) for 1,2-ethyl dinitrate to KGW = 0.020 (H = 51.1 Pa m3/mol) for 1,2-decyl dinitrate.

Keywords

Vapor Pressure Partition Coefficient Water Solubility Increment Method Environmental Distribution 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Copyright information

© Springer-Verlag Berlin Heidelberg 1998

Authors and Affiliations

  • Ralf G. Fischer
    • 1
  • K. Ballschmiter
    • 1
  1. 1.Abteilung Analytische Chemie und Umweltchemie, Universität Ulm, Albert-Einstein-Allee 11, D-89081 Ulm, Germany e-mail: karlheinz.ballschmiter@chemie.uni-ulm.deDE

Personalised recommendations