- InChI
- InChI=1S/C19H18ClFN2O3/c1-12(24)22-9-10-23(13(2)25)18-8-7-14(20)11-16(18)19(26)15-5-3-4-6-17(15)21/h3-8,11H,9-10H2,1-2H3,(H,22,24)
- InChI Key
- DWCBOQDXAIRNCQ-UHFFFAOYSA-N
- Formula
- C19H18ClFN2O3
- SMILES
-
CC(=O)N(CCN=C(C)O)c1ccc(Cl)cc1
C(=O)c1ccccc1F - Molecular Weight1
- 376.81
- 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 | 0.9799 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -557.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 139.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.039 | Crippen Calculated Property | |
| McVol | 269.730 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | [2460.00; 2460.00] |
|
|
| Inp | 2460.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Tboil | 697.92 | K | Relay (1.0) Calculated Property |
| Tc | 993.40 | K | Relay (1.0) Calculated Property |
| Tfus | 390.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.942 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Flurazepam M (bisdesethyl-)-H2O, hydrolysis, 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
- Joback Method
- McGowan Method
- NIST Webbook
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