A note on the application of graph theory to the thermodynamic properties of isomeric alkanes
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It has been claimed that trends in the thermodynamic properties of alkane isomers follow an ordering based on p2 and p3, the number of paths of length two or three, respectively (M. Randic and C. L. Wilkins. J. Phys. Chem. 83, 1525 (1979)). A possible explanation of the approximate ordering of the partial molal volumes [Formula: see text] of isomers in carbon tetrachloride at 25 °C comes from the ordering, based on p2 and p3, of (a) the number N of methyl groups, and (b) the mole fraction Zg of gauche arrangements in the different isomers. However, N and Zg have opposite effects on [Formula: see text], and specific cases of isomeric heptanes and nonanes are noted in which a reversal in trends in [Formula: see text] may be expected.
1979 ◽
Vol 57
(22)
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pp. 2892-2894
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1979 ◽
Vol 44
(6)
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pp. 950-953
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1978 ◽
Vol 82
(21)
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pp. 2310-2313
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1979 ◽
Vol 57
(19)
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pp. 2585-2592
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1991 ◽
Vol 40
(2)
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pp. 263-265
1979 ◽
Vol 57
(22)
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pp. 2887-2891
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