- InChI
- InChI=1S/C20H32N2O/c1-3-5-6-10-15-21-16-13-19(14-17-21)22(20(23)4-2)18-11-8-7-9-12-18/h7-9,11-12,19H,3-6,10,13-17H2,1-2H3
- InChI Key
- VUCBDKQCPHDWDV-UHFFFAOYSA-N
- Formula
- C20H32N2O
- SMILES
-
CCCCCCN1CCC(N(C(=O)CC)c2ccccc2
)CC1 - Molecular Weight1
- 316.48
- 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 | 0.7685 | Relay (1.0) Calculated Property | |
| ΔfG° | 247.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -218.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.474 | Crippen Calculated Property | |
| McVol | 279.570 | ml/mol | McGowan Calculated Property |
| Pc | 1261.30 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2450.00; 2474.00] |
|
|
| Inp | 2450.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Inp | 2474.00 | NIST | |
| Tboil | 640.98 | K | Relay (1.0) Calculated Property |
| Tc | 878.09 | K | Relay (1.0) Calculated Property |
| Tfus | 358.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.011 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Fentanyl, 4-N-hexyl analogue.
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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