predicting vapour pressures of organic compounds from their chemical structure for classification according to the vocdirective and risk assessment in general预测蒸汽压力的有机化合物的化学结构分类根据vocdirective和风险评估.pdf

Molecules 2001, 6, 370-389 molecules ISSN 1420-3049 Predicting Vapour Pressures of Organic Compounds from Their Chemical Structure for Classification According to the VOC- Directive and Risk Assessment in General. Erik Olsen1,* and Frands Nielsen2 1 National Institute of Occupational Health. Lersø Parkallé 105. DK 2100 Copenhagen Ø, Denmark. Telephone: +45 3916 5317. Fax: +45 3916 5201. 2 Faxe Paper Pigments. Strandeksplanaden 110, DK 2665, Vallensbæk Strand, Denmark. *Author to whom correspondence should be addressed; e-mail: eo@ami.dk Received: 8 August 2000; in revised form 22 February 2001 / Accepted: 14 March 2001 / Published: 31 March 2001 Abstract: The use of organic compounds in the European Union will in the future be regulated in accordance with the Council Directive 1999/13/EC of 11 March 1999 [1]. In this directive, any organic compound is considered to be a volatile organic compound (VOC) if it has a vapour pressure of 10 Pa or more at 20oC, or has a corresponding volatility under the particular condition of use. Introduction of such a limit will sometimes create problems, because vapour pressures cannot be determined with an infinite accuracy. Published data on vapour pressures for a true VOC will sometimes be found to be below 10 Pa and vice versa. When the same limit was introduced in the USA, a considerable amount of time and money were spent in vain on comparing incommensurable data [2]. In this paper,