- InChI
- InChI=1S/C20H21N3O3/c1-14(24)21(3)12-13-22-18-10-6-7-11-19(18)23(15(2)25)17-9-5-4-8-16(17)20(22)26/h4-11H,12-13H2,1-3H3
- InChI Key
- JFWFGWSQPXTHHY-UHFFFAOYSA-N
- Formula
- C20H21N3O3
- SMILES
-
CC(=O)N(C)CCN1C(=O)c2ccccc2N(C
(C)=O)c2ccccc21 - Molecular Weight1
- 351.40
- 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 | 0.8726 | Relay (1.0) Calculated Property | |
| ΔfG° | 146.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -281.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.810 | Crippen Calculated Property | |
| McVol | 268.930 | ml/mol | McGowan Calculated Property |
| Pc | 1773.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2824.00; 2824.00] |
|
|
| Inp | 2824.00 | NIST | |
| Inp | 2824.00 | NIST | |
| Tboil | 713.67 | K | Relay (1.0) Calculated Property |
| Tc | 1066.39 | K | Relay (1.0) Calculated Property |
| Tfus | 429.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzepin M(Ter-nor), acetylated.
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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