- InChI
- InChI=1S/C21H21F5N2O/c1-27(19(29)20(22,23)21(24,25)26)13-6-14-28-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)28/h2-5,7-10H,6,11-14H2,1H3
- InChI Key
- RVVSHGNINMLCRY-UHFFFAOYSA-N
- Formula
- C21H21F5N2O
- SMILES
-
CN(CCCN1c2ccccc2CCc2ccccc21)C(
=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 412.40
- 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 | 0.7858 | Relay (1.0) Calculated Property | |
| ΔfG° | -671.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1069.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.969 | Crippen Calculated Property | |
| McVol | 278.750 | ml/mol | McGowan Calculated Property |
| Pc | 1298.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2475.00 | NIST | |
| Tboil | 692.55 | K | Relay (1.0) Calculated Property |
| Tc | 901.61 | K | Relay (1.0) Calculated Property |
| Tfus | 351.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Desipramine, N-pentafluoropropionyl-.
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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