Prediction Methods
| Property | Method | Type | References |
| Normal Boiling Temperature | Constantinou-Gani (CG), Marrero-Pardillo (MP) | GC | 2, 3 |
| Normal Boiling Temperature | NRRC (Nannoolal, et al.), Riazi | GC, n-alkane correlation | 27, 35 |
| Critical Temperature | Modified Joback (J), CG, MP, Wilson-Jasperson (WJ) | GC | 1, 2, 3, 4 |
| Critical Temperature | NIST/TRC QSPR method, TDE correlation | QSPR, n-alkane correlation | 28, 36 |
| Critical Pressure | NIST/TRC QSPR method, TDE correlation | QSPR | 28, 36 |
| Critical Pressure | J, CG, MP, WJ | GC | 1, 2, 3, 4 |
| Critical Density | J, CG, MP | GC | 1, 2, 3 |
| Density (saturated liquid) | Modified Rackett | CS | 6 |
| Density (saturated liquid) | Riedel | CS | 14 |
| Heat Capacity (ideal gas) | Modified Joback | CS | 1 |
| Heat Capacity (sat'd liquid) | Modified Bondi | CS | 7 |
| 2nd Virial Coefficient | Xiang | CS | 8 |
| 3rd Virial Coefficient | Liu-Xiang | CS | 13 |
| Vapor Pressure | Ambrose-Walton | CS | 5 |
| Viscosity (gas) | Lucas | CS | 9 |
| Viscosity (sat'd liquid) | Sastri-Rao | Combined | 10 |
| Thermal Conductivity (gas) | Chung-1984 | CS | 11 |
| Thermal Conductivity (sat'd liquid) | Chung-1984 | CS | 12 |
| Intrinsic Entropy (Ideal gas) | Benson | GC | 7 |
| Symmetry Number | NIST/TRC method | Structure-based | TDE-4 |
| Enthalpy of Formation (Ideal gas) | Benson | GC | 7, NIST/TRC extensions |
GC = Group Contribution method
CS = Corresponding States method
QSPR = Quantitative Structure Property Relationship developed at NIST/TRC based on computed 3-dimensional structures
Structure-based = The program uses locally stored 3-dimensional structures to determine the symmetry number. This symmetry number includes the contributions from the molecule, as a whole, and internal rotations. Symmetries of structural elements are consistent with those of the groups used in estimation of the intrinsic entropies. The symmetry number is included in the TDE text output.