- InChI
- InChI=1S/C17H20N2/c18-12-5-13-19-16-8-3-1-6-14(16)10-11-15-7-2-4-9-17(15)19/h1-4,6-9H,5,10-13,18H2
- InChI Key
- XJWJQDZWUYUIEM-UHFFFAOYSA-N
- Formula
- C17H20N2
- SMILES
- NCCCN1c2ccccc2CCc2ccccc21
- Molecular Weight1
- 252.35
- 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 | 0.7080 | Relay (1.0) Calculated Property | |
| ΔfG° | 384.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 172.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.272 | Crippen Calculated Property | |
| McVol | 211.970 | ml/mol | McGowan Calculated Property |
| Pc | 2533.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 678.09 | K | Relay (1.0) Calculated Property |
| Tc | 944.54 | K | Relay (1.0) Calculated Property |
| Tfus | 378.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Didesmethylimipramine.
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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