- InChI
- InChI=1S/C19H30N2O/c1-3-5-9-14-20-15-12-18(13-16-20)21(19(22)4-2)17-10-7-6-8-11-17/h6-8,10-11,18H,3-5,9,12-16H2,1-2H3
- InChI Key
- XBJSBLVYMJQONW-UHFFFAOYSA-N
- Formula
- C19H30N2O
- SMILES
-
CCCCCN1CCC(N(C(=O)CC)c2ccccc2)
CC1 - Molecular Weight1
- 302.45
- 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).
- 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 | 0.7274 | Relay (1.0) Calculated Property | |
| ΔfG° | 240.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -196.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.084 | Crippen Calculated Property | |
| McVol | 265.480 | ml/mol | McGowan Calculated Property |
| Pc | 1374.84 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 633.97 | K | Relay (1.0) Calculated Property |
| Tc | 869.72 | K | Relay (1.0) Calculated Property |
| Tfus | 360.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Fentanyl, 4-N-pentyl 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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