- InChI
- InChI=1S/C17H26N2O/c1-3-12-18-13-10-16(11-14-18)19(17(20)4-2)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3
- InChI Key
- HDNAZKBGDIBSLJ-UHFFFAOYSA-N
- Formula
- C17H26N2O
- SMILES
-
CCCN1CCC(N(C(=O)CC)c2ccccc2)CC
1 - Molecular Weight1
- 274.40
- 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 | 0.6460 | Relay (1.0) Calculated Property | |
| ΔfG° | 228.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -150.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.304 | Crippen Calculated Property | |
| McVol | 237.300 | ml/mol | McGowan Calculated Property |
| Pc | 1627.33 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2166.00; 2190.00] |
|
|
| Inp | Outlier 2166.00 | NIST | |
| Inp | 2187.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Inp | 2181.00 | NIST | |
| Inp | 2184.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Inp | 2189.00 | NIST | |
| Inp | 2190.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Inp | 2189.00 | NIST | |
| Inp | Outlier 2166.00 | NIST | |
| Tboil | 618.70 | K | Relay (1.0) Calculated Property |
| Tc | 851.73 | K | Relay (1.0) Calculated Property |
| Tfus | 369.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Fentanyl, 4-N-propyl 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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Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.