QUANTITATIVE STRUCTURE―PROPERTY RELATIONSHIPS FOR PREDICTION OF BOILING POINT, VAPOR PRESSURE, AND MELTING POINT

JOHN C. DEARDE

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QUANTITATIVE STRUCTURE―PROPERTY RELATIONSHIPS FOR PREDICTION OF BOILING POINT, VAPOR PRESSURE, AND MELTING POINT

机译：定量结构-预测沸点，蒸气压和熔点的特性关系

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Boiling point, vapor pressure, and melting point are important physicochemical properties in the modeling of the distribution and fate of chemicals in the environment. However, such data often are not available, and therefore must be estimated. Over the years, many attempts have been made to calculate boiling points, vapor pressures, and melting points by using quantitative structure-property relationships, and this review examines and discusses the work published in this area, and concentrates particularly on recent studies. A number of software programs are commercially available for the calculation of boiling point, vapor pressure, and melting point, and these have been tested for their predictive ability with a test set of 100 organic chemicals.

机译：沸点，蒸气压和熔点是环境中化学物质的分布和归宿建模中的重要物理化学性质。但是，此类数据通常不可用，因此必须进行估算。多年来，已经进行了许多尝试，通过使用定量的结构-性质关系来计算沸点，蒸气压和熔点，并且本综述审查并讨论了该领域中发表的工作，并且特别着重于最近的研究。市场上有许多软件程序可用于计算沸点，蒸气压和熔点，并且已使用100种有机化学试剂测试了这些软件的预测能力。

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来源
《Environmental toxicology and chemistry》 |2003年第8期|p.1696-1709|共14页
作者
JOHN C. DEARDE;
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作者单位

School of Pharmacy and Chemistry, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, United Kingdom;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种 eng
中图分类环境卫生、环境医学;毒物学（毒理学）;化学工业废物处理与综合利用;
关键词
quantitative structure-property relationships prediction boiling point vapor pressure melting point;

机译：定量构效关系预测沸点蒸气压熔点;

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QUANTITATIVE STRUCTURE―PROPERTY RELATIONSHIPS FOR PREDICTION OF BOILING POINT, VAPOR PRESSURE, AND MELTING POINT

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