- InChI
- InChI=1S/C19H19F3N2OS/c1-13(25)23(2)10-5-11-24-15-6-3-4-7-17(15)26-18-9-8-14(12-16(18)24)19(20,21)22/h3-4,6-9,12H,5,10-11H2,1-2H3
- InChI Key
- XPSDEXXSOQHANR-UHFFFAOYSA-N
- Formula
- C19H19F3N2OS
- SMILES
-
CC(=O)N(C)CCCN1c2ccccc2Sc2ccc(
C(F)(F)F)cc21 - Molecular Weight1
- 380.43
- Other Names
-
- Triflupromazine M (nor-), acetylated
- 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 | 0.7478 | Relay (... Calculated Property | |
| ΔfG° | -285.56 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -665.44 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 116.80 | kJ/mol | Relay (... Calculated Property |
| IE | 7.63 | eV | Relay (... Calculated Property |
| log10WS | -4.92 | Relay (... Calculated Property | |
| logPoct/wat | 5.177 | Crippen Calculated Property | |
| McVol | 263.380 | ml/mol | McGowan Calculated Property |
| Pc | 1564.04 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2740.00; 2740.00] |
|
|
| Inp | 2740.00 | NIST | |
| Inp | 2740.00 | NIST | |
| Inp | 2740.00 | NIST | |
| Tboil | 715.83 | K | Relay (... Calculated Property |
| Tc | 957.71 | K | Relay (... Calculated Property |
| Tfus | 391.42 | K | Relay (... Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Trifluopromazine M (nor-), 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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