CORRELATIONS BETWEEN CHEMICAL-STRUCTURE AND NORMAL BOILING POINTS OF ACYCLIC ETHERS, PEROXIDES, ACETALS, AND THEIR SULFUR ANALOGS

被引：52

作者：

BALABAN, AT ^{[1
]}

KIER, LB ^{[1
]}

JOSHI, N ^{[1
]}

机构：

[1] VIRGINIA COMMONWEALTH UNIV,MED COLL VIRGINIA,DEPT MED CHEM,RICHMOND,VA 23298

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1992年 / 32卷 / 03期

关键词：

D O I：

10.1021/ci00007a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Boiling points at normal pressure for a set of 185 acyclic saturated compounds with one or two divalent oxygen or sulfur heteroatoms devoid of hydrogen bonding were correlated with chemical structures using two or three topological descriptors. The standard error is 8.2-degrees-C, and the correlation coefficient r2 is 0.971. For subsets (only 72 monoethers or only 44 monosulfides) the standard error is 4-5-degrees-C and r2 is about 0.98.

引用

页码：237 / 244

页数：8

共 19 条

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