Alkanes correlation table

The correlation tables for alkanes, cycloalkanes and alkyl groups are in Appendix 2, Table A2.1. 

Chanical-Shift Ranges of Some Nuclei Reference Standards for Selected Nuclei H and C Chemical Shifts of Useful NMR Solvents Proton NMR Absorptions of Major Functional Groups Some Useful H Coupling Constants Additivity Rules in C NMR Correlation Tables Alkanes Alkenes Alkynes... 

Matthews-Akgerman The free-volume approach of Hildebrand was shown to be valid for binary, dilute liquid paraffin mixtures (as well as self-diffusion), consisting of solutes from Cg to Cig and solvents of Cg and C o- The term they referred to as the diffusion volume was simply correlated with the critical volume, as = 0.308 V. We can infer from Table 5-15 that this is approximately related to the volume at the melting point as = 0.945 V, . Their correlation was vahd for diffusion of linear alkanes at temperatures up to 300°C and pressures up to 3.45 MPa. Matthews et al. and Erkey and Akger-man completea similar studies of diffusion of alkanes, restricted to /1-hexadecane and /i-octane, respectively, as the solvents. 

A corresponding correlation is obtained for the rate constants of a,a -phenyl substituted alkanes 26 (R1 = C6H5, R2 = H, R3 = alkyl) (see Fig. 1 )41). It has, however, a different slope and a different axis intercept. When both correlations are extrapolated to ESp = 0, a difference of about 16 kcal/mol in AG is found. This value is not unexpected because in the decomposition of a,a -phenyl substituted ethanes (Table 5, no. 22—27) resonance stabilized secondary benzyl radicals are formed. From Fig. 1 therefore a resonance energy of about 8 kcal/mol for a secondary benzyl radical is deduced. This is of the expected order of magnitude54. ... 

Two empirical increment systems (Table 4.22) derived from experimental data as collected in Table 4.23 permit prediction of alkanol carbon-13 shifts. One is related to the shift value B of the hydrocarbon R —H and involves, as usual, addition of the increments Z, = <5,(r oh) — r)(- R > according to eq. (4.8 a) [268]. The other employs a linear equation (4.8 b), correlating the shifts of an alkanol R — OH and the corresponding methyl-alkane R —CH3 by a constant bk and a slope ak, which is 0.7-0.8 for a and about 1 for ji and y positions [269]. Specific parameter sets characterize primary, secondary, and tertiary alcohols (Table 4.22). The magnitudes of Z) increments in eq. (4.8 a) decrease successively from primary to tertiary alcohols (Table 4.22), obviously as a result of reduced populations of conformers with yliauche interactions in the conformational equilibrium when the degree of alkylation increases. 

Gas viscosity generally decreases with increased molecular size. This trend is reversed for liquids, for which the viscosity increases with increasing Nc within homologous series [2]. The latter observation is confirmed for alkanes, alkanethiols, and n-alkyl /3-ethoxypropionates in Tables 6.2.1a-c. Linear correlations between viscosity and Nc have been evaluated, for example, for n-alkyl n-alkoxypropionates [3] and n-alkyl carbonates of methyl and butyl lactates [4,5]. Similarly, correlations... 

Calliphoridae. One study in Calliphoridae indicated a good correlation between phyl-ogeny and female hydrocarbon composition (Roux et al., 2006). Another interesting study used hydrocarbon analysis of pupal exuviae to discriminate between six necrophageous flies (Ye et al., 2007) (Table 7.5). CHC composition included over 50 compounds (n-alkanes, monomethylalkanes, and dimethylalkanes), but eight were sufficient for clear-cut discrimination of these species. 

Based on previous work which showed that backbone rigidity correlates with mesophase behavior for SCLCPs bearing calamitic mesogens [64], the double bonds of the main chain in polybutadienes were hydrogenated, leading to pure saturated alkane main chains, poly-(XXIX-5)a and poly-(XXIX-10)a in Table 18. But in contrast to the studies of calamitic SCLCPs, no dependency of backbone rigidity on mesophase behavior could be estabhshed. 

Are there functionals that address this problem and properly account for medium range correlation Zhao and Truhlar responded very quickly after the initial flurry of papers were published that pointed out these problems by noting that the highly parameterized M05-2x functional appears to fit the bill. As indicated in Table 3.16, M05-2x predicts that the branched alkane... 

Effect of Other Hydrocarbons. The complex role of C3H6 in this system has been analyzed in terms of its reactions with O, O3, and OH, and a similar analysis is applied to determining the role of other hydrocarbons in the smog chemistry. Relative rate constants for the reactions of a number of hydrocarbons with O, O3, and OH hydrocarbons are presented in Table I, together with the relative reactivities of these hydrocarbons based on NO-NO2 conversion rates observed in smog chambers. The relative OH rate constants correlate remarkably well with the reactivities for all the types of hydrocarbons listed in the table. By contrast, the O-atom and O3 rates correlate with the reactivities only for the olefinic compounds. For the aromatics, aldehydes, and alkanes in the table, the relative O-atom and O3 rate constants are negligibly small compared with the relative reactivities. The relative OH rate... 

The plots suggested by Equation 3 for these systems are shewn in Figures 2, 3 and 4 and these show that the excellent correlation found with polymers is not obeyed with these compounds. The results arising from alkane probes show linearity, even with polar molecules such as NMP, but there are marked deviations with aromatic or polar probes. Table III shows the solubility parameters calculated using solely the linear portions of the graphs obtained with the alkane probes, and also using the results from all of the probes. The results do not show the consistency displayed by polymers, and the estimates of 62 differ greatly from literature values. There is no apparent pattern as to whether better results are found from the alkane solvents or from all of the results. 

---