1-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 |
31.74 52.97 52.04 53.84 54.60 55.39 |
0 0 0 0 0 0 |
Cyclized on CH3: Methyl naphtalene Ethyl naphtalene Propyl naphtalene Butyl naphtalene Pentyl naphtalene Hexyl naphthalene |
1.42 2.18 3.85 1.09 1.30 1.72 |
626.21 348.90 40.74 2.68 4.23 4.65 |
58.41 10.68 19.18 1.80 14.99 28.30 |
23.24 23.41 23.24 46.22 156.09 6188.39 |
0 0 0 0 0 0 |