- InChI
- InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
- InChI Key
- WNTYBHLDCKXEOT-UHFFFAOYSA-N
- Formula
- C23H29N3O2S
- SMILES
-
CC(=O)c1ccc2c(c1)N(CCCN1CCN(CC
O)CC1)c1ccccc1S2 - Molecular Weight1
- 411.56
- CAS
- 2751-68-0
- Other Names
-
- Ethanone, 1-[10-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-10H-phenothiazin-2-yl]-
- Ketone, 10-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]phenothiazin-2-yl methyl
- Acetophenazinum
- 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 | 1.0500 | Relay (... Calculated Property | |
| ΔfG° | 242.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -150.87 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 157.75 | kJ/mol | Relay (... Calculated Property |
| IE | 7.72 | eV | Relay (... Calculated Property |
| log10WS | -3.64 | Relay (... Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 319.420 | ml/mol | McGowan Calculated Property |
| Pc | 1152.97 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 799.42 | K | Relay (... Calculated Property |
| Tc | 1099.05 | K | Relay (... Calculated Property |
| Tfus | 400.95 | K | Relay (... Calculated Property |
| Vc | 1.136 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Acetophenazine.
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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