- InChI
- InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3
- InChI Key
- VSTNNAYSCJQCQI-UHFFFAOYSA-N
- Formula
- C23H32N2O3
- SMILES
-
COC(CN1CCN(CC(O)C(OC)c2ccccc2)
CC1)c1ccccc1 - Molecular Weight1
- 384.51
- CAS
- 34758-83-3
- Other Names
-
- 1-Piperazineethanol, 4-(2-methoxy-2-phenylethyl)-«alpha»-(methoxyphenylmethyl)-
- «alpha»-(«alpha»-Methoxybenzyl)-4-(«beta»-methoxyphenethyl)-1-piperazineethanol
- 1-(2-Methoxy-2-phenylethyl)-4-(2-hydroxy-3-methoxy-3-phenylpropyl)piperazine
- 4-(2-Methoxy-2-phenylethyl)-«alpha»-(methoxyphenylmethyl)-1-piperazineethanol
- 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 | 0.8631 | Relay (1.0) Calculated Property | |
| ΔfG° | 180.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -303.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.740 | Crippen Calculated Property | |
| McVol | 314.120 | ml/mol | McGowan Calculated Property |
| Pc | 1285.51 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2799.00 | NIST | |
| Tboil | 706.95 | K | Relay (1.0) Calculated Property |
| Tc | 958.46 | K | Relay (1.0) Calculated Property |
| Tfus | 406.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.130 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Zipeprol.
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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