- InChI
- InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)
- InChI Key
- OSJJYEUEJRVVOD-UHFFFAOYSA-N
- Formula
- C21H24ClN3OS
- SMILES
-
NC(=O)C1CCN(CCCN2c3ccccc3Sc3cc
c(Cl)cc32)CC1 - Molecular Weight1
- 401.95
- CAS
- 84-04-8
- 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 | 0.8481 | Relay (1.0) Calculated Property | |
| ΔfG° | 311.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -68.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 142.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.15 ± 0.10 | eV | NIST |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.530 | Crippen Calculated Property | |
| McVol | 297.610 | ml/mol | McGowan Calculated Property |
| Pc | 1441.55 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3260.00; 3260.00] |
|
|
| Inp | 3260.00 | NIST | |
| Inp | 3260.00 | NIST | |
| Tboil | 768.77 | K | Relay (1.0) Calculated Property |
| Tc | 1088.25 | K | Relay (1.0) Calculated Property |
| Tfus | 419.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.039 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipamazine.
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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