![10H-Phenothiazin-3-ol, 10-[3-(dimethylamino)propyl]-, acetate (ester)](/cid/125-254-1/10H-Phenothiazin-3-ol-10-3-dimethylamino-propyl-acetate-ester.png "10H-Phenothiazin-3-ol, 10-[3-(dimethylamino)propyl]-, acetate (ester)")
- InChI
- InChI=1S/C19H22N2O2S/c1-14(22)23-15-9-10-17-19(13-15)24-18-8-5-4-7-16(18)21(17)12-6-11-20(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3
- InChI Key
- WZQPRXUQVBEBTL-UHFFFAOYSA-N
- Formula
- C19H22N2O2S
- SMILES
-
CC(=O)Oc1ccc2c(c1)Sc1ccccc1N2C
CCN(C)C - Molecular Weight1
- 342.45
- CAS
- 56438-23-4
- Other Names
-
- Promazine M (HO-), monoacetylated
- 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 | 0.7919 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -183.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.166 | Crippen Calculated Property | |
| McVol | 263.940 | ml/mol | McGowan Calculated Property |
| Pc | 1780.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2709.00; 2781.00] |
|
|
| Inp | 2709.00 | NIST | |
| Inp | 2781.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Tboil | 718.42 | K | Relay (1.0) Calculated Property |
| Tc | 968.38 | K | Relay (1.0) Calculated Property |
| Tfus | 414.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 10H-Phenothiazin-3-ol, 10-[3-(dimethylamino)propyl]-, acetate (ester).
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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