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How to calculate the airborne concentration of an organic compound from vapor pressure data for acute inhalation studies

文献类型: 会议论文

第一作者: Emma Rogers

作者: Emma Rogers 1 ; Rainer Otter 2 ; Tunga Salthammer 3 ; Jeffrey R. Kelsey 4 ;

作者机构: 1.Labcorp Early Development Laboratories Ltd.,Alconbury, United Kingdom

2.BASF SE,Ludwigshafen, Germany

3.Fraunhofer WKI, Braunschweig, Germany

4.Chemsage Ltd.,Fleet, United Kingdom

会议名称: Annual Meeting of the International Society of Exposure Science

主办单位:

页码: 18-18

摘要: Acute inhalation toxicity studies with small mammals often require exposure experiments close to the maximum attainable saturation vapor concentration of the target compound in air. However, application of the ideal gas law and assuming equilibrium conditions does not necessarily mean that this theoretical concentration can be achieved under realistic dynamic testing conditions. Molecules interact with surfaces (often reversible), diffuse into irreversible sinks and are sorbed by the test organism, particularly fur. In addition, for many compounds the vapor pressure and its temperature dependence is insufficiently known. In our study, we describe and discuss, using the solvent 2-butoxyethanol as an example, the methods to ensure the highest saturated vapor concentration that can be experimentally achieved while avoiding aerosol formation. We consider the practical difficulties and implications of this target compound at or close to saturation conditions and the criteria that should be used to critically assess such studies. The measured, extrapolated and calculated vapor pressures of 2-butoxyethanol are between 84 Pa and 115 Pa in the temperature range of 293 - 295 K. Error estimation depends on numerous factors, especially the purity of the chemical, temperature stability and the accuracy of measuring devices. Even when choosing the most reliable thermodynamic data our results show that the expected saturation concentration of 2-butoxyethanol at 295 K in an exposure chamber can vary between approximately 2 mg/L and 4.5 mg/L depending on the experimental error of vapor pressure, the enthalpy of evaporation, as well as sink and sorption effects.

分类号: tp3

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