Molecular structures alkanes

It is seen that by taking a mean value for the slope, there is very little divergence between the calculated and experimental values. Consequently, the methylene groups can, indeed, be taken as a reference group for assessing the effect of molecular structure on solute retention. The concept will now be applied to a simple n-alkanes series as discussed above, the data for which was obtained on the stationary phase n-heptadecane. 

Using the data given in the last column of Table 18-111, plot the heat released per carbon atom against the number of carbon atoms for the normal alkanes. Consider the significance of this plot in terms of the molecular structures of these compounds. 

Propellants may be of a number of different types CFCs, hydrofluoroalkanes (HFAs), or alkanes. The composition impacts upon performance. A numerical system is employed to identify fluorinated propellants. The rules governing this numbering system allow the molecular structure to be derived from the numerical descriptor. The rules may be listed as follows ... 

The assessment of surfactant structures and optimal mixtures for potential use in tertiary flooding strategies in North Sea fields has been examined from fundamental investigations using pure oils. The present study furthermore addresses the physico-chemical problems associated with reservoir oils and how the phase performance of these systems may be correlated with model oils, including the use of toluene and cyclohexane in stock tank oils to produce synthetic live reservoir crudes. Any dependence of surfactant molecular structure on the observed phase properties of proposed oils of equivalent alkane carbon number (EACN) would render simulated live oils as unrepresentative. 

Figure 8.6 Mass spectrum of C34 w-alkane (C34H70). The complete molecule appears at M = 478 and various fragment ions (m/z = 57, 71, etc.) at lower masses. The fragmentation pattern is shown on the molecular structure.

Wiener H (1948a) Relation of the physical properties of the isomeric alkanes to molecular structure. Surface tension, specific dispersion, and critical solution temperature in aniline. J. Phys. Chem. 52 1082-1089. 

The solubility characteristics of surfactants (in water) is one of the most studied phenomena. Even though the molecular structures of surfactants are rather simple, their solubility in water is rather complex as compared to other amphiphiles such as long-chain alcohols, etc., in that it is dependent on the alkyl group. This is easily seen since the alkyl groups will behave mostly as alkanes. The hydrophobic alkyl part exhibits solubility in water, which has been related to a surface tension model of the cavity (see Appendix B). However, it is found additionally that the solubility... 

The more complicated the organic molecule, the more important it is that you draw the molecular structure so you can visualize the molecule. In the case of straight-chain alkanes, the simplest of all organic molecules, you can remember a convenient formula for calculating the number of hydrogen atoms in the alkane without actually drawing the chain ... 

One investigation 1) sought more definite information on the effect of molecular structure on toxicity. Although it had been well established that aromatic and olefin compounds were toxic as compared to alkanes, it seemed worth while to pursue this study further, with the idea that if some one compound or series of compounds could be identified as the significant factor in toxicity, it could either be isolated by some refining procedure or be synthesized from other substances. 

As noted above, London dispersive interactions occur even between molecules of apolar compounds like alkanes, that on average over time exhibit a rather smooth distribution of electrons throughout the whole molecular structure. This interaction occurs in all chemicals because there are momentary (order of femtosecond timescales) displacements of the electrons within the structure such that short-lived electron-rich and electron-poor regions temporarily develop. This continuous movement of electrons implies the continuous presence of short-lived dipoles in the structure. This fleeting dipole is felt by neighboring molecules whose electrons respond in a complementary fashion. Consequently, there is an intermolecular attraction between these molecular regions. In the next moment, these attractive interactions shift elsewhere in the molecule. 

Branched-chain alkanes do not exhibit the same smooth gradation of physical properties as do the continuous-chain alkanes. Usually there is too great a variation in molecular structure for regularities to be apparent. Nevertheless, in any one set of isomeric hydrocarbons, volatility increases with increased branching. This can be seen from the data in Table 4-2, which lists the physical properties of the five hexane isomers. The most striking feature of the data is the 19° difference between the boiling points of hexane and 2,2-dimethylbutane. 

What information can we derive about molecular structure from the vibrational bands of infrared spectra Absorption of radiation in the range of 5000-1250 cm-1 is characteristic of the types of bonds present in the molecule, and corresponds for the most part to stretching vibrations. For example, we know that the C—H bonds of alkanes and alkyl groups have characteristic absorption bands around 2900 cm-1 an unidentified compound that shows absorption in this region will very likely have alkane-type C—H bonds. 

Syunyaeva, R. 1981. Relationship Between Molecular Structure and Physicochemical Properties of n-Alkanes. Chem. Technol. Fuels Oils. 17, 161. 

Advances in petroleum characterization at the molecular structure level by GC-MS methods renewed interest in OSC. Within the past few years, at least one-thousand new and novel OSC that previously were not known to be present in petroleum and bitumens have been reported. Tentative molecular structures inferred from GC-MS and other techniques have been confirmed in many cases by synthesis of authentic reference-compounds. The difficult and time-consuming synthetic work has been crucial in validating many of the novel structures. Another key finding has been that immature bitumens and crude oils (samples that have not received significant thermal stress) differ markedly from the previously known OSC in that they have carbon-skeletons resembling ubiquitous biomarker hydrocarbons (e.g., n-alkanes, isoprenoid alkanes, steranes, and hopanes). This similarity, of course, suggests that the hydrocarbons and OSC have common biogenic precursors. 

The direct summation of vertex degree products in M2 has been changed in (G) to a summation of inverse-square-root terms. This specific function selection has been made to provide better correlations of with the properties of isomeric alkanes. This shows the high sensitivity of the new molecular descriptor to variations in molecular structure. More recently, some restrictions in the applicability of the inverse-square-root function to compounds with large numbers of atoms (Gutman and Lepovic, 2001) and new values for the exponent were investigated (Gutman and Lepovic, 2001 Estrada, 2002). 

The skeletal branching index, published by Randic, motivated significant research to enlarge its applicability to chemical systems other than alkanes and to predict properties other than boiling point. Kier and coworkers developed the molecular connectivity idea into a full paradigm for the representation of molecular structure (Hall and Kier, 2001). 

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