- InChI
- InChI=1S/C17H11ClF4N2O2/c18-9-5-6-13-11(7-9)14(10-3-1-2-4-12(10)19)23-15(25)16(26)24(13)8-17(20,21)22/h1-7,15,25H,8H2
- InChI Key
- UUODKRKSEPDUBO-UHFFFAOYSA-N
- Formula
- C17H11ClF4N2O2
- SMILES
-
O=C1C(O)N=C(c2ccccc2F)c2cc(Cl)
ccc2N1CC(F)(F)F - Molecular Weight1
- 386.73
- 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 | 0.8024 | Relay (1.0) Calculated Property | |
| ΔfG° | -638.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -938.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.544 | Crippen Calculated Property | |
| McVol | 234.430 | ml/mol | McGowan Calculated Property |
| Pc | 1613.78 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2405.00; 2405.00] |
|
|
| Inp | 2405.00 | NIST | |
| Inp | 2405.00 | NIST | |
| Tboil | 665.99 | K | Relay (1.0) Calculated Property |
| Tc | 986.88 | K | Relay (1.0) Calculated Property |
| Tfus | 411.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-2-oxoquazepam.
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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