Compound | ΔHf(M) Kcal/mol | ΔHf(M)+ Kcal/mol | Total energy (M) Kcal/mol | Total energy (M)+ Kcal/mol | I.E e.V | Binding energy (M) Kcal/mol | Dipole moment (M) D |
α-pinene | 17 | 217 | −34,707 | −34,508 | 8.7 | −2525 | 0.113 |
Sabinene | 16 | 204 | −34,708 | −34,521 | 8.2 | −2527 | 0.1453 |
β-pinene | 20 | 225 | −34,704 | −34,499 | 9 | −2522 | 0.1122 |
d-limonene | 2 | 209 | −34,722 | −34,515 | 9 | −2541 | 0.1229 |
Ecuolyptol | −52 | 166 | −42,819 | −42,601 | 9.4 | −2758 | 1.385 |
l-linalool | −34 | 168 | −42,801 | −42,599 | 8.7 | −2740 | 1.576 |
Estragole | −8 | 176 | −40,816 | −40,631 | 8 | −2402 | 1.18 |