| 2-n-alkyl naphtalenes | Ebond | Eangle | Estretch-bend | Edihedral | EvdWaals | Eelst |
|
|
| (kJ/mol) |
|
|
| |
| Naphtalene | 6.78 | 0.00 | 0.00 | 24.64 | 26.63 | 0 |
| Common: Methyl naphtalene Ethyl naphtalene n-Propyl naphtalene n-Butyl naphtalene n-Pentyl naphtalene n-Hexyl naphthalene |
9.13 11.01 12.90 14.82 16.71 18.63 |
0.25 0.25 0.25 0.25 0.25 0.25 |
−0.13 −0.13 −0.13 −0.13 −0.13 −0.13 |
−67.49 −68.08 −68.08 −68.08 −68.08 −68.08 |
28.93 53.80 56.82 59.79 62.97 66.15 |
0 0 0 0 0 0 |
| Cyclized on CH3: Methyl naphtalene Ethyl naphtalene Propyl naphtalene Butyl naphtalene Pentyl naphtalene Hexyl naphthalene |
8.67 30.98 14.65 14.28 16.12 18.00 |
955.35 137.17 16.20 1.26 2.01 1.42 |
−7.49 −0.59 −0.33 −0.17 −0.04 −0.04 |
121.59 −54.89 −51.42 −65.74 −51.33 −48.49 |
24.03 24.62 28.01 41.58 78.00 96.59 |
0 0 0 0 0 0 |