- InChI
- InChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3
- InChI Key
- QQOMYEQLWQJRKK-UHFFFAOYSA-N
- Formula
- C23H30N2O
- SMILES
-
CCCC(=O)N(c1ccccc1)C1CCN(CCc2c
cccc2)CC1 - Molecular Weight1
- 350.50
- CAS
- 1169-70-6
- Other Names
-
- Butanoyl fentanyl
- 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 | 0.7623 | Relay (1.0) Calculated Property | |
| ΔfG° | 362.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -23.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.527 | Crippen Calculated Property | |
| McVol | 298.080 | ml/mol | McGowan Calculated Property |
| Pc | 1220.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2878.00 | NIST | |
| Tboil | 690.67 | K | Relay (1.0) Calculated Property |
| Tc | 955.49 | K | Relay (1.0) Calculated Property |
| Tfus | 378.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methyl-3-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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