- InChI
- InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3
- InChI Key
- YGSVZRIZCHZUHB-UHFFFAOYSA-N
- Formula
- C15H21NO
- SMILES
- CC1C2Cc3ccc(O)cc3C1(C)CCN2C
- Molecular Weight1
- 231.33
- CAS
- 3734-52-9
- Other Names
-
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-
- 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan
- Methobenzmorphan
- 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 | 0.5939 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -89.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 192.580 | ml/mol | McGowan Calculated Property |
| Pc | 2740.59 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1920.00; 1920.00] |
|
|
| Inp | 1920.00 | NIST | |
| Inp | 1920.00 | NIST | |
| Tboil | 611.65 | K | Relay (1.0) Calculated Property |
| Tc | 874.18 | K | Relay (1.0) Calculated Property |
| Tfus | 439.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.675 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Metazocine.
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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