【摘要】 探讨了卤代甲烷的沸点与其分子结构之间的关系 ,发展了一种既能计算卤代甲烷沸点、又能预测未知卤代甲烷沸点的方法 .对卤代甲烷的计算结果表明 ,沸点计算值与实验值的一致性令人满意 ,平均误差 1 75 % ,优于文献方法 .更多还原

【Abstract】 A correlation was investigated between the boiling points and molecular structure of halogenated methanes, and a new method was developed to calculate and predict the boiling points of halogenated methanes. The results showed that the calculated boiling points are in good agreement with the experimental data, and the mean relative deviation was 1.75% for 40 halogenated methanes. The boiling points of 25 halogenated methanes were predicted for reference and testing in the future.更多还原