- InChI
- InChI=1S/C23H28N2O2S/c1-17(26)27-19-9-10-21-23(16-19)28-22-8-4-3-7-20(22)25(21)13-5-6-18-11-14-24(2)15-12-18/h3-4,7-10,16,18H,5-6,11-15H2,1-2H3
- InChI Key
- HKSUBLQLPOCWAX-UHFFFAOYSA-N
- Formula
- C23H28N2O2S
- SMILES
-
CC(=O)Oc1ccc2c(c1)Sc1ccccc1N2C
CCC1CCN(C)CC1 - Molecular Weight1
- 396.55
- 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 | 0.8507 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -249.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.337 | Crippen Calculated Property | |
| McVol | 309.440 | ml/mol | McGowan Calculated Property |
| Pc | 1290.01 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3190.00 | NIST | |
| Tboil | 769.05 | K | Relay (1.0) Calculated Property |
| Tc | 1029.34 | K | Relay (1.0) Calculated Property |
| Tfus | 424.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.103 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Perazine M (HO-), 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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