| Molecular Series | Formula | Molecular Wire Length (Å) | Dipole Moment (Debye) |
| CH3−C≡N | CH3CN | 0.00 | 4.14 |
| CH3−(C≡C)1−C≡N | CH3C3N | 2.56 | 5.30 |
| CH3−(C≡C)2−C≡N | CH3C5N | 5.13 | 6.12 |
| CH3−(C≡C)3−C≡N | CH3C7N | 7.69 | 6.71 |
| CH3−(C≡C)4−C≡N | CH3C9N | 10.25 | 7.14 |
| CH3−(C≡C)5−C≡N | CH3C11N | 12.82 | 7.43 |
| CH3−(C≡C)6−C≡N | CH3C13N | 15.38 | 7.65 |
| CH3−(C≡C)7−C≡N | CH3C15N | 17.94 | 7.80 |
| CH3−(C≡C)8−C≡N | CH3C17N | 20.50 | 7.91 |
| CH3−(C≡C)9−C≡N | CH3C19N | 23.07 | 8.00 |
| CH3−(C≡C)10−C≡N | CH3C21N | 25.63 | 8.06 |
| CH3−(C≡C)11−C≡N | CH3C23N | 28.19 | 8.10 |
| CH3−(C≡C)12−C≡N | CH3C25N | 30.75 | 8.14 |
| CH3−(C≡C)13−C≡N | CH3C27N | 33.31 | 8.17 |
| CH3−(C≡C)14−C≡N | CH3C29N | 35.88 | 8.19 |