- InChI
- InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5+
- InChI Key
- WFPIAZLQTJBIFN-BLLMUTORSA-N
- Formula
- C22H25ClN2OS
- SMILES
-
OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(
Cl)cc32)CC1 - Molecular Weight1
- 400.96
- CAS
- 53772-83-1
- Other Names
-
- 1-Piperazineethanol, 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-, (Z)-
- (Z)-4-[3-(2-Chlorothioxanthen-9-ylidene)propyl]-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).
- 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 | 0.8882 | Relay (1.0) Calculated Property | |
| ΔfG° | 309.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 34.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 151.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.236 | Crippen Calculated Property | |
| McVol | 301.720 | ml/mol | McGowan Calculated Property |
| Pc | 1289.78 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 783.32 | K | Relay (1.0) Calculated Property |
| Tc | 1052.02 | K | Relay (1.0) Calculated Property |
| Tfus | 412.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.048 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Zuclopenthixol.
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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