Mol Draw

The reaction is about 50% faster in ethoxyethanol than in decane. Calculate the activation parameters at 150°C. Although precisely comparable data are not available, for the gas-phase isomerization of norbomadiene is 50kcal/mol. Draw a sketch... 

The bond length of molecular fluorine is 142 pm, and the bond energy is 155 kJ/mol. Draw a figure similar to Figure 9 that includes both F2 and H2. Write a caption for the figure that summarizes the comparison of these two diatomic molecules. 

This reaction has an activation energy ( a) of +17kJ/mol (+4 kcal/mol) and a AH° of +4 kJ/mol (+1 kcal/mol). Draw a reaction-energy diagram for this reaction. 

ISIS/Draw Elsevier MDL, 14600 Catalina Street, San Leandro,CA 94577.Commercial http //www.mdli.com/products/framework/isis draw/index.jsp. Freeware http //www.mdli.com/downloads/downloadable/index.jsp. MDL will ultimately discontinue ISIS/Draw and replace it with Mol Draw. 

Problem 10.2 (a) How do the following heats of hydrogenation (AHh, kJ/mol) show that benzene is not the ordinary triene 1,3,5-cyclohexatriene Cyclohexene, -119.7 1,4-cyclohexadiene, 239.3 1,3-cyclohexadiene, -231.8 and benzene, 208.4. (b) Calculate the delocalization energy of benzene, (c) How does the delocalization energy of benzene compare to that of 1,3,5-hexatriene (AHh = - 336.8 kJ/mol) Draw a conclusion about the relative reactivities of the two compounds. 

The activation energy for this reaction is 132 kj/mol. Draw an energy diagram for this reaaion, showing the relative energies of the reaaants, the activated complex, and the products. Using arrows show the activation energy and heat of reaction. 

We construct the equilibrium curve (Fig. 59) and through the point Xg = 40 mol% draw a parallel to the ordinate, intersecting the equilibrium curve at the point b. The line parallel to the ordinate through the point Xg = 98 mol% intersects the diagonal at a. By joining a and b we obtain an operating line, which when continued intersects the vertical axis at c (y = 37). 

PROBLEM 7.19 The heat of formation for cation A is 201 kcal/mol, and that of cation B is 218.6 kcal/mol. Draw the two cations carefully and explain why A is more stable than B. 

First, a quei y must be drawn using the MOL" ISIS/Draw program. By using this reaction query, a eurrent reaction search " can be performed. This type of reaction retrieval compares the starting material and the product of the reaction query with all the reactions in the CIRX database. Both query structures must match exactly, including the implicit hydrogen atoms not shown in the reaction query. In this case, one hit is found in the CIRX databases. 

There are a number of different ways that the molecular graph can be conununicated between the computer and the end-user. One common representation is the connection table, of which there are various flavours, but most provide information about the atoms present in the molecule and their connectivity. The most basic connection tables simply indicate the atomic number of each atom and which atoms form each bond others may include information about the atom hybridisation state and the bond order. Hydrogens may be included or they may be imphed. In addition, information about the atomic coordinates (for the standard two-dimensional chemical drawing or for the three-dimensional conformation) can be included. The connection table for acetic acid in one of the most popular formats, the Molecular Design mol format [Dalby et al. 1992], is shown in Figure 12.3. 

Figure 15.13 (a) Drawing of a space-filiing model of the hypervariable regions of an Fab fragment. The superpositions of five sections are shown, cut through a model as shown in (b). It is clearly seen that all six hypervariable regions (L1-L3, H1-H3) contribute to the surface shown here. (From C. Chothia and A. Lesk, /. Mol. Biol. 196 901-917, 1987.)... 

A The diaxial conformation of c/s-l,3-dimethylcyclohexane is approximately 23 kj/mol (5.4 keal/mol) less stable than the diequatorial conformation. Draw the two possible chair conformations, and suggest a reason for the large energy difference. 

For a more realistic sample size than that in Example 7.7, one that contains 1.00 mol CO, corresponding to 6.02 x 1023 CO molecules, each of which could be oriented in either of two ways, there are 2602x10 (an astronomically large number) different microstates, and a chance of only 1 in 2< 02x l0" of drawing a given microstate in a blind selection. We can expect the entropy of the solid to be high and calculate that... 

C13-0003. Draw one complete specific line structure for each of the following (a) an amine with the formula Cg Hi 5 N (b) an ester with at least seven carbon atoms (c) an alcohol with a molar mass of 74 g/mol and (d) a molecule with at least ten carbons that contains an aldehyde group and a phenyl ring... 

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