- InChI
- InChI=1S/C25H33N3O2/c1-21(29)30-20-19-27-17-15-26(16-18-27)13-6-14-28-24-9-4-2-7-22(24)11-12-23-8-3-5-10-25(23)28/h2-5,7-10H,6,11-20H2,1H3
- InChI Key
- JXJVSQWMXWLOKF-UHFFFAOYSA-N
- Formula
- C25H33N3O2
- SMILES
-
CC(=O)OCCN1CCN(CCCN2c3ccccc3CC
c3ccccc32)CC1 - Molecular Weight1
- 407.55
- 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 | 0.9352 | Relay (1.0) Calculated Property | |
| ΔfG° | 287.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -208.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 143.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.494 | Crippen Calculated Property | |
| McVol | 331.250 | ml/mol | McGowan Calculated Property |
| Pc | 1111.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3171.00 | NIST | |
| Tboil | 766.65 | K | Relay (1.0) Calculated Property |
| Tc | 1029.12 | K | Relay (1.0) Calculated Property |
| Tfus | 386.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.206 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Opipramol, 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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