Energies calculated using the MM2* force field, as implemented on
MacroModel version 5.5.
All energies are in kJ/mol
Formula | Energy | Structure | | Formula | Energy | Structure |
C21H44 | 49.05 | ![](c21h44.gif) | | C26H54 | 51.90 | ![](c26h54.gif) |
C22H46 | 49.00 | ![](c22h46.gif) | | C27H56 | 53.27 | ![](c27h56.gif) |
C23H48 | 50.42 | ![](c23h48.gif) | | C28H58 | 53.59 | ![](c28h58.gif) |
C24H50 | 50.77 | ![](c24h50.gif) | | C29H60 | 54.71 | ![](c29h60.gif) |
C25H52 | 51.90 | ![](c25h52.gif) | | C30H62 | 54.73 | ![](c30h62.gif) |
Formula | Energy | Structure | | Formula | Energy | Structure |
C11H24 | 28.11 | ![](c11h24.gif) | | C16H34 | 41.70 | ![](c16h34.gif) |
C12H26 | 30.83 | ![](c12h26.gif) | | C17H36 | 44.41 | ![](c17h36.gif) |
C13H28 | 33.54 | ![](c13h28.gif) | | C18H38 | 46.09 | ![](c18h38.gif) |
C14H30 | 36.26 | ![](c14h30.gif) | | C19H40 | 47.55 | ![](c19h40.gif) |
C15H32 | 38.98 | ![](c15h32.gif) | | C20H42 | 47.87 | ![](c20h42.gif) |
Formula | Energy | Structure | | Formula | Energy | Structure |
CH4 | 0.00 | ![](ch4.gif) | | C6H14 | 14.53 | ![](c6h14.gif) |
C2H6 | 3.41 | ![](c2h6.gif) | | C7H16 | 17.24 | ![](c7h16.gif) |
C3H8 | 6.27 | ![](c3h8.gif) | | C8H18 | 19.96 | ![](c8h18.gif) |
C4H10 | 9.09 | ![](c4h10.gif) | | C9H20 | 22.68 | ![](c9h20.gif) |
C5H12 | 11.81 | ![](c5h12.gif) | | C10H22 | 25.39 | ![](c10h22.gif) |
Some of these structures were reported in:
J. M. Goodman J. Chem. Inf. Comput. Sci. 1997, 37, 876-878.