Detail of "169051-76-7"

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Prediction of the physical properties for the ionic liquid based on topological index

Prediction of the physical properties for the ionic liquid based on topological index.Several substances are used for example 169051-76-7 which is its cas registry number. Shu, Qing; Yang, Bo-Lun; Wang, Fu-An (Department of Chemical Engineering, Xi'an Jiaotong University, Xi'an, Shaanxi 710049, Peop. Rep. China). Jiegou Huaxue, 24(9), 1083-1087 (English) 2005 Jiegou Huaxue Bianji Weiyuanhui. CODEN: JHUADF. ISSN: 0254-5861. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Section cross-reference(s): 76 Based on the distance matrix and adjacent matrix of mol. structure, a novel topol. index is proposed. A set of topol. parameters is built to reflect the magnitude, shape and other structure information of the substance. The interdependency between new topol. index and cond. for alkylimidazolium cations was analyzed and a quant. relation to describe this interdependency was obtained using the linear analyzing method. The anal. results show that the proposed topol. index is quite satisfied with higher precision of the prediction. From the mol. structure of ionic liq., the value of cond. can be predicted correctly. This method can be also used to predict other phys. properties of the ionic liq. .