- InChI
- InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
- InChI Key
- HCYAFALTSJYZDH-UHFFFAOYSA-N
- Formula
- C18H22N2
- SMILES
- CNCCCN1c2ccccc2CCc2ccccc21
- Molecular Weight1
- 266.38
- CAS
- 50-47-5
- Other Names
-
- Pertofran
- 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 | 0.6946 | Relay (1.0) Calculated Property | |
| ΔfG° | 405.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 191.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.39 ± 0.06 | eV | NIST |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.533 | Crippen Calculated Property | |
| McVol | 226.060 | ml/mol | McGowan Calculated Property |
| Pc | 2196.19 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2200.00; 2255.00] |
|
|
| Inp | 2235.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Inp | 2242.00 | NIST | |
| Inp | 2217.00 | NIST | |
| Inp | 2217.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Inp | 2242.00 | NIST | |
| Inp | 2204.00 | NIST | |
| Inp | 2255.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2242.00 | NIST | |
| Tboil | 679.63 | K | Relay (1.0) Calculated Property |
| Tc | 939.43 | K | Relay (1.0) Calculated Property |
| Tfus | 384.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.807 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to desipramine.
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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