cyclohexane, 1-ethyl-2-methyl-, cis-

cyclohexane, 1-ethyl-2-methyl-, cis-

molar mass | 126.2 g/mol formula | C_9H_18 empirical formula | C_H_2 SMILES identifier | CC[C@@H]1CCCC[C@@H]1C InChI identifier | InChI=1/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H, 3-7H2, 1-2H3/t8-, 9+/m0/s1 InChI key | XARGIVYWQPXRTC-DTWKUNHWSA-N

Draw the Lewis structure of cyclohexane, 1-ethyl-2-methyl-, cis-. Start by drawing the overall structure of the molecule: Count the total valence electrons of the carbon (n_C, val = 4) and hydrogen (n_H, val = 1) atoms: 9 n_C, val + 18 n_H, val = 54 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8) and hydrogen (n_H, full = 2): 9 n_C, full + 18 n_H, full = 108 Subtracting these two numbers shows that 108 - 54 = 54 bonding electrons are needed. Each bond has two electrons, so the above diagram has all the necessary bonds. There are 27 bonds and hence 54 bonding electrons in the diagram. Lastly, fill in the remaining unbonded electrons on each atom. In total, there remain 54 - 54 = 0 electrons left to draw and the diagram is complete: Answer: | |

melting point | -78.82 °C boiling point | 147.1 °C critical temperature | 618.7 K critical pressure | 2.741 MPa critical volume | 471.5 cm^3/mol molar heat of vaporization | 35.7 kJ/mol molar heat of fusion | 11.97 kJ/mol molar enthalpy | -195 kJ/mol molar free energy | 41.64 kJ/mol (computed using the Joback method)

longest chain length | 6 atoms longest straight chain length | 2 atoms longest aliphatic chain length | 2 atoms aromatic atom count | 0 atoms H-bond acceptor count | 0 atoms H-bond donor count | 0 atoms

Find the elemental composition for cyclohexane, 1-ethyl-2-methyl-, cis- in terms of the atom and mass percents: atom percent = N_i/N_atoms × 100% mass percent = (N_im_i)/m × 100% Plan: • Write the chemical formula and gather atomic masses from the periodic table. • Determine values for N_i, m_i, N_atoms and m using these items. • Finally, compute the percents and check the results. Write the chemical formula: C_9H_18 Use the chemical formula, C_9H_18, to count the number of atoms, N_i, for each element and find the total number of atoms, N_atoms: | number of atoms C (carbon) | 9 H (hydrogen) | 18 N_atoms = 9 + 18 = 27 Divide each N_i by N_atoms to calculate atom fractions. Then use the property that atom fractions must sum to one to check the work: | number of atoms | atom fraction C (carbon) | 9 | 9/27 H (hydrogen) | 18 | 18/27 Check: 9/27 + 18/27 = 1 Compute atom percents using the atom fractions: | number of atoms | atom percent C (carbon) | 9 | 9/27 × 100% = 33.3% H (hydrogen) | 18 | 18/27 × 100% = 66.7% Look up the atomic mass, m_i, in unified atomic mass units, u, for each element in the periodic table: | number of atoms | atom percent | atomic mass/u C (carbon) | 9 | 33.3% | 12.011 H (hydrogen) | 18 | 66.7% | 1.008 Multiply N_i by m_i to compute the mass for each element. Then sum those values to compute the molecular mass, m: | number of atoms | atom percent | atomic mass/u | mass/u C (carbon) | 9 | 33.3% | 12.011 | 9 × 12.011 = 108.099 H (hydrogen) | 18 | 66.7% | 1.008 | 18 × 1.008 = 18.144 m = 108.099 u + 18.144 u = 126.243 u Divide the mass for each element by m to calculate mass fractions. Then use the property that mass fractions must sum to one to check the work: | number of atoms | atom percent | mass fraction C (carbon) | 9 | 33.3% | 108.099/126.243 H (hydrogen) | 18 | 66.7% | 18.144/126.243 Check: 108.099/126.243 + 18.144/126.243 = 1 Compute mass percents using the mass fractions: Answer: | | | number of atoms | atom percent | mass percent C (carbon) | 9 | 33.3% | 108.099/126.243 × 100% = 85.63% H (hydrogen) | 18 | 66.7% | 18.144/126.243 × 100% = 14.37%

The first step in finding the oxidation states (or oxidation numbers) in cyclohexane, 1-ethyl-2-methyl-, cis- is to draw the structure diagram. Next set every oxidation number equal to the atom's formal charge: In cyclohexane, 1-ethyl-2-methyl-, cis- hydrogen is not bonded to a metal with lower electronegativity, so it will have an oxidation state of +1. Any element bonded to hydrogen gains the bonding electrons, decreasing their oxidation state by 1 for every bond: There are 9 carbon-carbon bonds. Since these are bonds between the same element, bonding electrons are shared equally, and there is no change to the oxidation states: Now summarize the results: Answer: | | oxidation state | element | count -3 | C (carbon) | 2 -2 | C (carbon) | 5 -1 | C (carbon) | 2 +1 | H (hydrogen) | 18

First draw the structure diagram for cyclohexane, 1-ethyl-2-methyl-, cis-, and for every non-hydrogen atom, count the σ-bonds. Note that double and triple bonds consist of one σ-bond together with one or two π-bonds: For cyclohexane, 1-ethyl-2-methyl-, cis- there are no lone pairs, so the steric number is given by the σ-bond count. Consult the following chart to determine the hybridization from the steric number: steric number | hybridization 2 | sp 3 | sp^2 4 | sp^3 5 | dsp^3 6 | d^2sp^3 7 | d^3sp^3 Now assign the hybridization for each atom: Answer: | |

vertex count | 27 edge count | 27 Schultz index | 4845 Wiener index | 1296 Hosoya index | 43439 Balaban index | 4.317