- InChI
- InChI=1S/C21H24N2O2S/c1-14(12-22(4)16(3)25)13-23-18-7-5-6-8-20(18)26-21-10-9-17(15(2)24)11-19(21)23/h5-11,14H,12-13H2,1-4H3
- InChI Key
- DOFVXANYKILRNP-UHFFFAOYSA-N
- Formula
- C21H24N2O2S
- SMILES
-
CC(=O)c1ccc2c(c1)N(CC(C)CN(C)C
(C)=O)c1ccccc1S2 - Molecular Weight1
- 368.49
- 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 | 0.7968 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -224.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.606 | Crippen Calculated Property | |
| McVol | 287.820 | ml/mol | McGowan Calculated Property |
| Pc | 1664.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2940.00; 2940.00] |
|
|
| Inp | 2940.00 | NIST | |
| Inp | 2940.00 | NIST | |
| Tboil | 733.70 | K | Relay (1.0) Calculated Property |
| Tc | 1014.98 | K | Relay (1.0) Calculated Property |
| Tfus | 404.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.020 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acepromethazine 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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