- InChI
- InChI=1S/C17H18N2OS/c1-12(18-13(2)20)11-19-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)19/h3-10,12H,11H2,1-2H3,(H,18,20)
- InChI Key
- IFFQWZYOBGHEDL-UHFFFAOYSA-N
- Formula
- C17H18N2OS
- SMILES
-
CC(=O)NC(C)CN1c2ccccc2Sc2ccccc
21 - Molecular Weight1
- 298.40
- 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 | 0.6523 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -17.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.814 | Crippen Calculated Property | |
| McVol | 229.890 | ml/mol | McGowan Calculated Property |
| Pc | 2427.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2450.00 | NIST | |
| Tboil | 693.88 | K | Relay (1.0) Calculated Property |
| Tc | 984.96 | K | Relay (1.0) Calculated Property |
| Tfus | 396.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Promethazine M (bis-nor-), acetylated.
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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