- InChI
- InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
- InChI Key
- XLOQNFNTQIRSOX-UHFFFAOYSA-N
- Formula
- C19H22N2OS
- SMILES
-
CC(=O)c1ccc2c(c1)N(CC(C)N(C)C)
c1ccccc1S2 - Molecular Weight1
- 326.46
- CAS
- 13461-01-3
- Other Names
-
- Aceprometazine
- 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 | 0.6794 | Relay (... Calculated Property | |
| ΔfG° | 252.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 27.51 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.81 | kJ/mol | Relay (... Calculated Property |
| IE | 7.58 | eV | Relay (... Calculated Property |
| log10WS | -3.89 | Relay (... Calculated Property | |
| logPoct/wat | 4.442 | Crippen Calculated Property | |
| McVol | 258.070 | ml/mol | McGowan Calculated Property |
| Pc | 1869.29 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2626.00; 2626.00] |
|
|
| Inp | 2626.00 | NIST | |
| Inp | 2626.00 | NIST | |
| Tboil | 711.92 | K | Relay (... Calculated Property |
| Tc | 982.30 | K | Relay (... Calculated Property |
| Tfus | 405.61 | K | Relay (... Calculated Property |
| Vc | 0.912 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Acepromethazine.
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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