- InChI
- InChI=1S/C18H20N2O3S/c1-13(11-19-14(2)21)12-20-15-7-3-5-9-17(15)24(22,23)18-10-6-4-8-16(18)20/h3-10,13H,11-12H2,1-2H3,(H,19,21)
- InChI Key
- IBELYQOZAPJGES-UHFFFAOYSA-N
- Formula
- C18H20N2O3S
- SMILES
-
CC(=O)NCC(C)CN1c2ccccc2S(=O)(=
O)c2ccccc21 - Molecular Weight1
- 344.43
- 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 | 0.8020 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -361.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.743 | Crippen Calculated Property | |
| McVol | 255.720 | ml/mol | McGowan Calculated Property |
| Pc | 1978.15 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3035.00; 3035.00] |
|
|
| Inp | 3035.00 | NIST | |
| Inp | 3035.00 | NIST | |
| Tboil | 735.20 | K | Relay (1.0) Calculated Property |
| Tc | 1042.65 | K | Relay (1.0) Calculated Property |
| Tfus | 423.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.888 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxomemazine 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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