Ye Danian, Dong Qi. Additivity of Molecular Volume for the Organic Compound Ⅰ. the Topological Volume of Functional Groups of the Hydrocarbon[J]. Acta Sedimentologica Sinica, 1992, 10(4): 1-10.
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Ye Danian, Dong Qi. Additivity of Molecular Volume for the Organic Compound Ⅰ. the Topological Volume of Functional Groups of the Hydrocarbon[J]. Acta Sedimentologica Sinica, 1992, 10(4): 1-10.
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Additivity of Molecular Volume for the Organic Compound Ⅰ. the Topological Volume of Functional Groups of the Hydrocarbon
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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) =27.24Å. V (CH3) =55.11Å3, V (-ch = ch2) = 70.12Å3, V (-ch = ch-) =40.98Å3, V (-ch=ch) = 51.58Å. V (-C6H4-) =89.92Å3, V (-C6=H3) =61.51Å3. The topological volume of the liquid hydrocarbon can al so be obtained from the following eqation: V = K+13.89×C+6.67×H (Å3) K refers to the liquid coefficient, K= 15 for the cyclanes. C and H are number of carbon and hydrogen atoms respectively.
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Proportional views
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