- InChI
- InChI=1S/C17H14ClFN2O2/c18-10-5-6-14-12(9-10)16(11-3-1-2-4-13(11)19)20-15(7-8-22)17(23)21-14/h1-6,9,15,22H,7-8H2,(H,21,23)
- InChI Key
- JRCYGROYIMMPPO-UHFFFAOYSA-N
- Formula
- C17H14ClFN2O2
- SMILES
-
O=C1Nc2ccc(Cl)cc2C(c2ccccc2F)=
NC1CCO - Molecular Weight1
- 332.76
- Other Names
-
- 3-Hydroxyethylflurazepam
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.8419 | Relay (1.0) Calculated Property | |
| ΔfG° | 83.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.020 | Crippen Calculated Property | |
| McVol | 229.120 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Inp | [2600.00; 2660.00] |
|
|
| Inp | 2660.00 | NIST | |
| Inp | 2630.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2650.00 | NIST | |
| Inp | 2660.00 | NIST | |
| Tboil | 700.82 | K | Relay (1.0) Calculated Property |
| Tc | 1064.82 | K | Relay (1.0) Calculated Property |
| Tfus | 455.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.782 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.37; 743.01] | J/mol×K | [975.03; 1224.67] |
|
| Cp,gas | 712.37 | J/mol×K | 975.03 | Joback Calculated Property |
| Cp,gas | 721.68 | J/mol×K | 1016.64 | Joback Calculated Property |
| Cp,gas | 729.30 | J/mol×K | 1058.24 | Joback Calculated Property |
| Cp,gas | 735.25 | J/mol×K | 1099.85 | Joback Calculated Property |
| Cp,gas | 739.51 | J/mol×K | 1141.46 | Joback Calculated Property |
| Cp,gas | 742.10 | J/mol×K | 1183.06 | Joback Calculated Property |
| Cp,gas | 743.01 | J/mol×K | 1224.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydroxyethylflurazepam.
Sources
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