- InChI
- InChI=1S/C23H25N3O2S/c1-17(27)28-19-9-13-25(14-10-19)11-4-12-26-20-5-2-3-6-22(20)29-23-8-7-18(16-24)15-21(23)26/h2-3,5-8,15,19H,4,9-14H2,1H3
- InChI Key
- JCSGAMXIJYDBPZ-UHFFFAOYSA-N
- Formula
- C23H25N3O2S
- SMILES
-
CC(=O)OC1CCN(CCCN2c3ccccc3Sc3c
cc(C#N)cc32)CC1 - Molecular Weight1
- 407.53
- 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 | 0.8552 | Relay (1.0) Calculated Property | |
| ΔfG° | 285.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -85.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 146.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.579 | Crippen Calculated Property | |
| McVol | 310.820 | ml/mol | McGowan Calculated Property |
| Pc | 1190.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3391.00 | NIST | |
| Tboil | 788.62 | K | Relay (1.0) Calculated Property |
| Tc | 1069.65 | K | Relay (1.0) Calculated Property |
| Tfus | 385.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.106 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Periciazine, monoacetylated.
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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