节点文献
有机化合物分子体积的加和性——Ⅰ.烃类的官能团的拓扑体积
Additivity of Molecular Volume for the Organic Compound Ⅰ. the Topological Volume of Functional Groups of the Hydrocarbon
【摘要】 液态的碳氢化合物分子体积等于官能团拓扑体积之和,即服从于加和性原则。在不同的烃类中相同的官能团有十分接近的体积贡献。官能团的拓扑体积,V(CH2)=27.24(?)3,V(CH3)=55.11(?)3,V(-CH=CH2)=70.12(?)3,V(-CH=CH-)=40.98(?)3,V(-C≡CH)=51.58(?)3,V(-C≡C-)=21.18(?)3,V(H)端部=29.32(?)3。V(C6H5-)=120.08(?)3,V(-C6H4-)=89.92(?)3,V(-C6H4=)=61.51(?)3。液态碳氢化合物的分子体积还可以用如下公式来表示。V=k+13.89·C+6.67H(?3)K为液体常数,烷、烯和炔K=40,苯同系物K=25,环烷烃K=15。C、H分别是分子中C和H的原子数。
【Abstract】 The molecular volume of the liquid hydrocarbon equals to the sum of the topological volumes of the functional groups, conforming to the principle of additivity. The topological volume value of a functional group in all of the organic compound approximates to a constant respectively, i. e. V (CH2) =27.24 A . V (CH3) =55.11A3, V (-ch = ch2) = 70.12A3, V (-ch = ch-) =40.98A3, V (-ch=ch) = 51.58A. V (-C6H4-) =89.92A3, V (-C6=H3) =61.51A3. The topological volume of the liquid hydrocarbon can al so be obtained from the following eqation:V = K+13.89×C+6.67×H (A3)K refers to the liquid coefficient, K= 15 for the cyclanes. C and H are number of carbon and hydrogen atoms respectively.
- 【文献出处】 沉积学报 ,Acta Sedimentologica Sinica , 编辑部邮箱 ,1992年04期
- 【被引频次】4
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