| Molecular species | SPLET | |||
| PA | ETE | |||
| Gas | Water | Gas | Water | |
| Phenol | 1453.1 (0.0)d | 152.3 (0.0) | 230.2 (0.0)e | 387.5 (0.0) |
| PBT | 1439.1 (−14) | 149.9 (−2.4) | 270.0 (39.8) | 390.1 (2.6) |
| PBT1 | 1432.6 (−20.5) | 152.9 (0.6) | 234.7 (4.5) | 341.3 (−46.2) |
| PBT2 | 1379.3 (−73.8) | 118.5 (−33.8) | 335.9 (105.7) | 430.2 (42.7) |