Study on the correlativity between boiling point and molecular volume and methyl number of aliphatic aldehydes and alkanones;
脂肪族醛酮的沸点与其分子体积及甲基数的相关性研究
Theoretical calculation of boiling point change of sodium nitrate brine;
硝酸钠卤水沸点变化理论计算
Topologic group space method for estimating normal boiling point enthalpy of vaporization and boiling point;
蒸发焓及沸点估算的基团拓扑空间方法
Research on quantitative relationship between structures and boiling points of alkyl halides by means of molecular connectivity exponent;
分子连接性指数法研究卤代烃的结构与沸点的定量关系
Novel topological indices: Molecular Polarizability Effect Index(MPEI),Vertex Degree-Distance Index(VDI),Odd-Even Index(OEI),Steric Effect Index(SVij) and Eigenvalues of Bond-connecting matrix(X1CH) were used to predict the boiling points and chromatographic retention indices(RI) on different polar stationary phases for a mixed set of aldehydes and ketones.
通过对醛酮化合物分子结构特征及其气相色谱保留指数(RI)和沸点与分子结构间关系的研究,提出了分子极化效应指数(MPEI)、奇偶指数(OEI)、立体效应指数(SVij)、顶点度-距离指数(VDI)及键连接矩阵特征根(∑X1CH)等拓扑-量子结构参数,用多元线性回归(MLR)方法获得了醛酮类化合物的沸点及其在不同极性色谱柱上的气相色谱保留指数与这些拓扑-量子指数间良好的定量结构-性质相关(QSPR)模型,相关系数均大于0。
A new method, the group bond contribution method, was developed to calculate the boiling points of cycloalkanes from molecular structure.
根据分子中基团的特性和连接性 ,发展了一种直接根据分子结构信息计算环烷烃沸点的新方法基团键贡献法 ,该方法既考虑分子中基团的特性 ,又考虑基团之间的连接性 (化学键 ) ,具有基团贡献法和化学键贡献法的特点 。
3kPa with a new type of magnetically pump-ebulliometer.
利用新型泵式沸点仪,在101。
3kPa with a new type of magnetical pump-ebulliometer.
利用新型泵式沸点仪,在 101。
Comparison and evaluation of group-contribution techniques for estimating the normal boiling point of organic compounds;
估算有机物正常沸点的基团贡献法比较与评价
In the point of view of molecule force theory, the physical regularity reflected in physical phenomenon of the normal boiling point for open chain, aromatic, alicyclic hydrocarbons and carboxylic acids, a new theoretical equation of the normal boiling point for them is proposed.
应用分子力学理论揭示出烃类和羧酸等的正常沸点Tb这一物理现象中的物理规律性,从而提出其正常沸点的理论方程,物理意义明确,经用链烃,环烃和羧酸等的298个纯质的实测值验算,平均误差为0。