2-n-alkyl naphtalenes | Ebond | Eangle | Edihedral | EvdWaals | Eelst |
|
| (kJ/mol) |
|
| |
Naphtalene | 0.00 | 0.00 | 0.00 | 24.54 | 0 |
Common: Methyl naphtalene Ethyl naphtalene n-Propyl naphtalene n-Butyl naphtalene n-Pentyl naphtalene n-Hexyl naphthalene |
0.13 0.38 0.63 0.88 1.13 1.42 |
0.00 1.63 1.63 1.63 1.63 1.63 |
0.00 0.00 0.00 0.00 0.00 0.00 |
25.71 47.19 47.61 48.19 48.95 49.78 |
0 0 0 0 0 0 |
Cyclized on CH3: Methyl naphtalene Ethyl naphtalene Propyl naphtalene Butyl naphtalene Pentyl naphtalene Hexyl naphthalene |
- 19.18 3.85 1.00 1.84 1.72 |
620.35 347.86 40.61 2.68 5.78 6.24 |
57.53 10.68 19.13 1.80 12.31 14.57 |
24.12 24.79 22.69 28.47 72.31 107.52 |
0 0 0 0 0 0 |