- InChI
- InChI=1S/C24H32N2O/c1-19(2)24(27)26(22-12-8-5-9-13-22)23-14-16-25(17-15-23)20(3)18-21-10-6-4-7-11-21/h4-13,19-20,23H,14-18H2,1-3H3
- InChI Key
- UAMAVNLZTHVLCE-UHFFFAOYSA-N
- Formula
- C24H32N2O
- SMILES
-
CC(C)C(=O)N(c1ccccc1)C1CCN(C(C
)Cc2ccccc2)CC1 - Molecular Weight1
- 364.52
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7082 | Relay (1.0) Calculated Property | |
| ΔfG° | 369.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -58.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.771 | Crippen Calculated Property | |
| McVol | 312.170 | ml/mol | McGowan Calculated Property |
| Pc | 1066.13 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2849.00; 2849.00] |
|
|
| Inp | 2849.00 | NIST | |
| Inp | 2849.00 | NIST | |
| Tboil | 676.83 | K | Relay (1.0) Calculated Property |
| Tc | 960.89 | K | Relay (1.0) Calculated Property |
| Tfus | 397.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.113 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Methyl isobutanoyl fentanyl.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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