- InChI
- InChI=1S/C20H24N2O2S/c1-14(12-21(3)15(2)23)13-22-17-7-5-6-8-19(17)25-20-10-9-16(24-4)11-18(20)22/h5-11,14H,12-13H2,1-4H3/t14-/m0/s1
- InChI Key
- OHFIMZCYCAXBAY-AWEZNQCLSA-N
- Formula
- C20H24N2O2S
- SMILES
-
COc1ccc2c(c1)N(CC(C)CN(C)C(C)=
O)c1ccccc1S2 - Molecular Weight1
- 356.48
- 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 | 0.7792 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -194.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 125.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.412 | Crippen Calculated Property | |
| McVol | 278.030 | ml/mol | McGowan Calculated Property |
| Pc | 1716.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2970.00 | NIST | |
| Tboil | 733.22 | K | Relay (1.0) Calculated Property |
| Tc | 986.55 | K | Relay (1.0) Calculated Property |
| Tfus | 393.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Levomepromazine 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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